Cas no 123690-27-7 (2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[6-(ethenylsulfonyl)-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-)
![2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[6-(ethenylsulfonyl)-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy- structure](https://ossimg.kuujia.com/scimg/124000/123690-27-7x500.png)
123690-27-7 structure
Product Name:2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[6-(ethenylsulfonyl)-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-
CAS No:123690-27-7
MF:C29H21N3O13S4
MW:747.749342679977
CID:104037
PubChem ID:136218157
Update Time:2025-04-18
2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[6-(ethenylsulfonyl)-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[6-(ethenylsulfonyl)-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy-
- 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-6-(ethenylsulfonyl)-1-sulfo-2-naphthalenylazo-4-hydroxy-
- 5-benzamido-3-[(6-ethenylsulfonyl-1-sulfonaphthalen-2-yl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid
- 5-Benzamido-3-{2-[6-(ethenesulfonyl)-1-sulfonaphthalen-2-yl]hydrazinylidene}-4-oxo-3,4-dihydronaphthalene-2,7-disulfonic acid
- DTXSID50721394
- 123690-27-7
-
- Inchi： 1S/C29H21N3O13S4/c1-2-46(35,36)19-9-10-21-17(12-19)8-11-22(28(21)49(43,44)45)31-32-26-24(48(40,41)42)14-18-13-20(47(37,38)39)15-23(25(18)27(26)33)30-29(34)16-6-4-3-5-7-16/h2-15,33H,1H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)/b32-31+
- InChI Key： GXEBFDLAXYPDFQ-QNEJGDQOSA-N
- SMILES： S(C1C=C2C=C(C=C(C2=C(C=1/N=N/C1=CC=C2C=C(C=CC2=C1S(=O)(=O)O)S(C=C)(=O)=O)O)NC(C1C=CC=CC=1)=O)S(=O)(=O)O)(=O)(=O)O
Computed Properties
- Exact Mass: 746.99572243g/mol
- Monoisotopic Mass: 746.99572243g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 49
- Rotatable Bond Count: 9
- Complexity: 1830
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Surface Charge: 0
- Tautomer Count: 31
- XLogP3: 3
- Topological Polar Surface Area: 305?2
2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[6-(ethenylsulfonyl)-1-sulfo-2-naphthalenyl]diazenyl]-4-hydroxy- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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