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))

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) structure
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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