2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-[4′-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3′-dimethyl[1,1′-biphenyl]-4-yl]diazenyl]-, sodium salt (1:3)
CAS Registry Number®
5442-09-1
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CAS Name
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-[4′-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3′-dimethyl[1,1′-biphenyl]-4-yl]diazenyl]-, sodium salt (1:3)Molecular Formula
C34H26N4O12S3.3NaCite this Page
2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-[4′-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3′-dimethyl[1,1′-biphenyl]-4-yl]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=5442-09-1 (retrieved ) (CAS RN: 5442-09-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C34H26N4O12S3.3Na/c1-17-11-19(7-9-25(17)35-37-27-16-29(52(45,46)47)23-5-3-4-6-24(23)33(27)40)20-8-10-26(18(2)12-20)36-38-32-30(53(48,49)50)14-21-13-22(51(42,43)44)15-28(39)31(21)34(32)41;;;/h3-16,39-41H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;
InChIKey
InChIKey=MMCOSFVCTNXTIU-UHFFFAOYSA-N
SMILES
OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=C(C)C=C(C=C3)C4=CC(C)=C(N=NC5=C(O)C6=C(C(S(=O)(=O)O)=C5)C=CC=C6)C=C4)C=C(S(=O)(=O)O)C=C2O.[Na]
Canonical SMILES
[Na].O=S(=O)(O)C=1C=C(O)C2=C(O)C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5O)S(=O)(=O)O)C(=C4)C)=C(C=C2C1)S(=O)(=O)O
Other Names for this Substance
- 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[2-[4′-[2-(1-hydroxy-4-sulfo-2-naphthalenyl)diazenyl]-3,3′-dimethyl[1,1′-biphenyl]-4-yl]diazenyl]-, sodium salt (1:3)
- C.I. Direct Blue 31, trisodium salt
- C.I. Direct Blue 31
- 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[[4′-[(1-hydroxy-4-sulfo-2-naphthalenyl)azo]-3,3′-dimethyl[1,1′-biphenyl]-4-yl]azo]-, trisodium salt
- C.I. 23690
Deleted or Replaced CAS Registry Numbers
4198-21-4
