Benzoic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)
CAS Registry Number®
6598-63-6
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CAS Name
Benzoic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)Molecular Formula
C34H24N6O11S2.3NaCite this Page
Benzoic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=6598-63-6 (retrieved ) (CAS RN: 6598-63-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H24N6O11S2.3Na/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44;;;/h1-17,41-42H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51);;;
InChIKey
InChIKey=ACOOXZXFXXETOX-UHFFFAOYSA-N
SMILES
OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=CC=C(C(O)=O)C=C3)C=C(NC(NC4=CC5=C(C=C4)C(O)=C(N=NC6=CC=CC=C6)C(S(=O)(=O)O)=C5)=O)C=C2.[Na]
Canonical SMILES
[Na].O=C(O)C1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC(=O)NC=4C=CC5=C(O)C(N=NC=6C=CC=CC6)=C(C=C5C4)S(=O)(=O)O)C=C1
Other Names for this Substance
- Benzoic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:3)
- C.I. Direct Orange 102, trisodium salt
- Benzoic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, trisodium salt
- C.I. 29156
- Benzo Fast Orange WSA-CF
