Benzoic acid, 3,3′-methylenebis[6-[[2,4-dihydroxy-5-[(4-sulfophenyl)azo]phenyl]azo]-, sodium salt

85223-35-4

CAS Name

Benzoic acid, 3,3′-methylenebis[6-[2-[2,4-dihydroxy-5-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₃₉H₂₈N₈O₁₄S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C39H28N8O14S2.Na/c48-34-18-36(50)32(16-30(34)44-40-22-3-7-24(8-4-22)62(56,57)58)46-42-28-11-1-20(14-26(28)38(52)53)13-21-2-12-29(27(15-21)39(54)55)43-47-33-17-31(35(49)19-37(33)51)45-41-23-5-9-25(10-6-23)63(59,60)61;/h1-12,14-19,48-51H,13H2,(H,52,53)(H,54,55)(H,56,57,58)(H,59,60,61);

InChIKey

InChIKey=WJZBOLSUHXDDNN-UHFFFAOYSA-N

SMILES

N(=NC1=CC(N=NC2=CC=C(S(=O)(=O)O)C=C2)=C(O)C=C1O)C3=C(C(O)=O)C=C(CC4=CC(C(O)=O)=C(N=NC5=CC(N=NC6=CC=C(S(=O)(=O)O)C=C6)=C(O)C=C5O)C=C4)C=C3.[Na]

Canonical SMILES

[Na].O=C(O)C1=CC(=CC=C1N=NC2=CC(N=NC3=CC=C(C=C3)S(=O)(=O)O)=C(O)C=C2O)CC4=CC=C(N=NC5=CC(N=NC6=CC=C(C=C6)S(=O)(=O)O)=C(O)C=C5O)C(=C4)C(=O)O

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

102616-51-3