Benzoic acid, 2-[2-[2-amino-6-[2-[4′-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]diazenyl]-5-hydroxy-7-sulfo-1-naphthalenyl]diazenyl]-5-nitro-, sodium salt (1:3)

CAS Registry Number®

6739-62-4

CAS Name

Benzoic acid, 2-[2-[2-amino-6-[2-[4′-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]diazenyl]-5-hydroxy-7-sulfo-1-naphthalenyl]diazenyl]-5-nitro-, sodium salt (1:3)

Molecular Formula

C38H28N8O13S.3Na

Cite this Page

Benzoic acid, 2-[2-[2-amino-6-[2-[4′-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]diazenyl]-5-hydroxy-7-sulfo-1-naphthalenyl]diazenyl]-5-nitro-, sodium salt (1:3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6739-62-4 (retrieved 2024-11-25) (CAS RN: 6739-62-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H28N8O13S.3Na/c1-58-31-13-18(3-9-28(31)42-40-20-5-12-30(47)25(15-20)38(51)52)19-4-10-29(32(14-19)59-2)43-45-35-33(60(55,56)57)17-23-22(36(35)48)7-8-26(39)34(23)44-41-27-11-6-21(46(53)54)16-24(27)37(49)50;;;/h3-17,47-48H,39H2,1-2H3,(H,49,50)(H,51,52)(H,55,56,57);;;

InChIKey

InChIKey=HAFAULQWRNLKJW-UHFFFAOYSA-N

SMILES

N(=NC1=C(C(O)=O)C=C(N(=O)=O)C=C1)C=2C3=C(C(O)=C(N=NC4=C(OC)C=C(C=C4)C5=CC(OC)=C(N=NC6=CC(C(O)=O)=C(O)C=C6)C=C5)C(S(=O)(=O)O)=C3)C=CC2N.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC(N=NC2=CC=C(C=C2OC)C3=CC=C(N=NC=4C(O)=C5C=CC(N)=C(N=NC6=CC=C(C=C6C(=O)O)N(=O)=O)C5=CC4S(=O)(=O)O)C(OC)=C3)=CC=C1O

Other Names for this Substance

  • Benzoic acid, 2-[2-[2-amino-6-[2-[4′-[2-(3-carboxy-4-hydroxyphenyl)diazenyl]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]diazenyl]-5-hydroxy-7-sulfo-1-naphthalenyl]diazenyl]-5-nitro-, sodium salt (1:3)
  • C.I. Direct Black 91, trisodium salt
  • Benzoic acid, 2-[[2-amino-6-[[4′-[(3-carboxy-4-hydroxyphenyl)azo]-3,3′-dimethoxy[1,1′-biphenyl]-4-yl]azo]-5-hydroxy-7-sulfo-1-naphthalenyl]azo]-5-nitro-, trisodium salt
  • C.I. Direct Black 91
  • Cuprophenyl Black RL

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Deleted or Replaced CAS Registry Numbers

59537-45-0

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