Benzoic acid, 2-[[6-[[4-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, sodium salt

CAS Name

Benzoic acid, 2-[2-[6-[[4-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-3-methylbenzoyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₄₂H₃₀N₆O₁₂S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C42H30N6O12S2.Na/c1-22-17-24(41(52)44-28-13-15-30-26(19-28)21-35(62(58,59)60)37(39(30)50)48-46-33-10-6-5-9-31(33)42(53)54)11-16-32(22)45-47-36-34(61(55,56)57)20-25-18-27(12-14-29(25)38(36)49)43-40(51)23-7-3-2-4-8-23;/h2-21,49-50H,1H3,(H,43,51)(H,44,52)(H,53,54)(H,55,56,57)(H,58,59,60);

InChIKey

InChIKey=UHYLYDVQKRCWBO-UHFFFAOYSA-N

SMILES

OC=1C2=C(C=C(S(=O)(=O)O)C1N=NC3=C(C(O)=O)C=CC=C3)C=C(NC(=O)C4=CC(C)=C(N=NC=5C(S(=O)(=O)O)=CC6=C(C5O)C=CC(NC(=O)C7=CC=CC=C7)=C6)C=C4)C=C2.[Na]

Canonical SMILES

[Na].O=C(O)C=1C=CC=CC1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC(=O)C4=CC=C(N=NC=5C(O)=C6C=CC(=CC6=CC5S(=O)(=O)O)NC(=O)C=7C=CC=CC7)C(=C4)C

Other Names for this Substance