Cas no 6656-03-7 (Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-biphenyl]-4-yl]diazenyl-kN1]-8-(hydroxy-kO)-1,6-naphthalenedisulfonato(7-)]]di-,sodium (1:3))
6656-03-7 structure
Product Name:Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-biphenyl]-4-yl]diazenyl-kN1]-8-(hydroxy-kO)-1,6-naphthalenedisulfonato(7-)]]di-,sodium (1:3)
CAS No:6656-03-7
MF:C38H20Cu2N5Na3O13S3
MW:1046.84742069244
CID:506580
PubChem ID:81169
Update Time:2025-04-19
Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-biphenyl]-4-yl]diazenyl-kN1]-8-(hydroxy-kO)-1,6-naphthalenedisulfonato(7-)]]di-,sodium (1:3) Chemical and Physical Properties
Names and Identifiers
-
- Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-biphenyl]-4-yl]diazenyl-kN1]-8-(hydroxy-kO)-1,6-naphthalenedisulfonato(7-)]]di-,sodium (1:3)
- Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-bi
- Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-biphenyl]-4-yl]diazenyl-kN1]-8-(hydroxy-kO)-1,6-naphthalenedisulfonato(7-)]]d
- C.I. Direct Blue 98
- copper(2+) sodium 7-[(Z)-(3,3'-dioxido-4'-{(Z)-[3-oxido-6-(phenylamino)-1-sulfonatonaphthalen-2-yl]diazenyl}biphenyl-4-yl)diazenyl]-8-oxidonaphthalene-1,6-disulfonate (2:3:1)
- EINECS 229-687-7
- cuprate(3-), [ mu -[7-[[3,3'-dihydroxy-4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-8-hydroxy-1,6-naphthalenedisulfonat
- Cuprate(3-),[mu-[7-[[3,3'-di(hydroxy-kappaO)-4'-[[1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo-kappaN1][1,1'-biphenyl]-4-yl]azo-kappaN1]-8-(hydroxy-kappaO)-1,6-naphthalenedisulfonato(7-)]]di-,trisodium
- 6656-03-7
- Cuprate(3-), (mu-(7-((3,3'-di(hydroxy-kappaO)-4'-((1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-8-(hydroxy-kappaO)-1,6-naphthalenedisulfonato(7-)))di-, trisodium
- Cuprate(3-), (mu-(7-((3,3'-dihydroxy-4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-8-hydroxy-1,6-naphthalenedisulfonato(7-)))di-, trisodium
- UNII-R1RVY098D6
- Cuprate(3-), (mu-(7-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-8-(hydroxy-kappaO)-1,6-naphthalenedisulfonato(7-)))di-, sodium (1:3)
- Trisodium (mu-(7-((4'-((6-anilino-1-hydroxy-3-sulpho-2-naphthyl)azo)-3,3'-dihydroxy(1,1'-biphenyl)-4-yl)azo)-8-hydroxynaphthalene-1,6-disulphonato(7-)))dicuprate(3-)
- dicopper;trisodium;7-[[4-[4-[(6-anilino-3-oxido-1-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,6-disulfonate
-
- Inchi: 1S/C38H27N5O13S3.2Cu.3Na/c44-29-16-20(9-13-27(29)40-42-35-31(46)18-23-15-25(39-24-6-2-1-3-7-24)11-12-26(23)38(35)59(54,55)56)21-10-14-28(30(45)17-21)41-43-36-33(58(51,52)53)19-22-5-4-8-32(57(48,49)50)34(22)37(36)47;;;;;/h1-19,39,44-47H,(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;;/q;2*+2;3*+1/p-7/b42-40-,43-41-;;;;;
- InChI Key: IRWUMMUGRKYWDG-SNGAPEHVSA-G
- SMILES: [Cu+2].[Cu+2].S(C1C(=C(C=C2C=C(C=CC2=1)NC1C=CC=CC=1)[O-])/N=N\C1C=CC(=CC=1[O-])C1C=CC(=C(C=1)[O-])/N=N\C1C(=CC2=CC=CC(=C2C=1[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])(=O)(=O)[O-].[Na+].[Na+].[Na+]
Computed Properties
- Exact Mass: 1044.850476g/mol
- Monoisotopic Mass: 1044.850476g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 64
- Rotatable Bond Count: 3
- Complexity: 1810
- Covalently-Bonded Unit Count: 6
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 350?2
Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-biphenyl]-4-yl]diazenyl-kN1]-8-(hydroxy-kO)-1,6-naphthalenedisulfonato(7-)]]di-,sodium (1:3) Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
6656-03-7 (Cuprate(3-), [m-[7-[2-[3,3'-di(hydroxy-kO)-4'-[2-[1-(hydroxy-kO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kN1][1,1'-biphenyl]-4-yl]diazenyl-kN1]-8-(hydroxy-kO)-1,6-naphthalenedisulfonato(7-)]]di-,sodium (1:3)) Related Products
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