Benzoic acid, 5-[2-[4′-[2-[2,6-diamino-3-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]-5-methylphenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4)

CAS Registry Number®

2429-81-4
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CAS Name

Benzoic acid, 5-[2-[4′-[2-[2,6-diamino-3-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]-5-methylphenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4)

Molecular Formula

C46H34N10O13S3.4Na

Cite this Page

Benzoic acid, 5-[2-[4′-[2-[2,6-diamino-3-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]-5-methylphenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2429-81-4 (retrieved 2024-05-17) (CAS RN: 2429-81-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H34N10O13S3.4Na/c1-23-18-36(42(48)44(41(23)47)56-50-28-12-8-25(9-13-28)24-6-10-27(11-7-24)49-51-29-14-16-37(57)33(21-29)46(59)60)54-53-35-22-32-26(19-39(35)71(64,65)66)20-40(72(67,68)69)43(45(32)58)55-52-34-15-17-38(70(61,62)63)31-5-3-2-4-30(31)34;;;;/h2-22,57-58H,47-48H2,1H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;

InChIKey

InChIKey=FIHWHKAMHOGZQW-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC=3C4=C(C(S(=O)(=O)O)=CC3)C=CC=C4)C=C(S(=O)(=O)O)C(N=NC5=C(N)C(N=NC6=CC=C(C=C6)C7=CC=C(N=NC8=CC(C(O)=O)=C(O)C=C8)C=C7)=C(N)C(C)=C5)=C2.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC(N=NC2=CC=C(C=C2)C3=CC=C(N=NC=4C(N)=C(N=NC5=CC6=C(O)C(N=NC7=CC=C(C=8C=CC=CC78)S(=O)(=O)O)=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)C=C(C4N)C)C=C3)=CC=C1O

Other Names for this Substance

  • Benzoic acid, 5-[2-[4′-[2-[2,6-diamino-3-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]-5-methylphenyl]diazenyl][1,1′-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4)
  • C.I. Direct Brown 31, tetrasodium salt
  • C.I. Direct Brown 31
  • Benzoic acid, 5-[[4′-[[2,6-diamino-3-[[8-hydroxy-3,6-disulfo-7-[(4-sulfo-1-naphthalenyl)azo]-2-naphthalenyl]azo]-5-methylphenyl]azo][1,1′-biphenyl]-4-yl]azo]-2-hydroxy-, tetrasodium salt
  • C.I. 35660

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Deleted or Replaced CAS Registry Numbers

1092061-43-2

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