Cas no 66217-02-5 (Unii-T6ozdy44V0)
Unii-T6ozdy44V0 structure
Product Name:Unii-T6ozdy44V0
CAS No:66217-02-5
MF:C31H22N4O12S3
MW:738.720983982086
CID:388593
Update Time:2023-08-03
Unii-T6ozdy44V0 Chemical and Physical Properties
Names and Identifiers
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- 2-Naphthalenesulfonic acid,4-hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-
- T6OZDY44V0
- 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-
- 4-Hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-2-naphthalenesulfonic acid
- 4-Hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-2-naphthalenesulfonic acid
- 2-Nap
- Unii-T6ozdy44V0
-
- Inchi： 1S/C31H22N4O12S3/c36-27-15-24(49(42,43)44)13-18-10-20(4-7-25(18)27)32-31(38)33-21-5-8-26-19(11-21)14-28(50(45,46)47)29(30(26)37)35-34-22-3-1-17-12-23(48(39,40)41)6-2-16(17)9-22/h1-15,36-37H,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)/b35-34+
- InChI Key： HIVSSNOQZTVJKW-XAHDOWKMSA-N
- SMILES： S(C1C(=C(C2C=CC(=CC=2C=1)NC(NC1=CC=C2C(=CC(=CC2=C1)S(=O)(=O)O)O)=O)O)/N=N/C1C=CC2C=C(C=CC=2C=1)S(=O)(=O)O)(=O)(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 50
- Rotatable Bond Count: 7
- Complexity: 1590
- Topological Polar Surface Area: 295
Unii-T6ozdy44V0 Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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