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

Molecular Formula

C₄₃H₃₃N₇O₁₂S₂.xNa

Other Names and Identifiers

InChI

InChI=1S/C43H33N7O12S2.Na/c1-21-15-23(7-13-32(21)44)41(53)45-27-9-11-29-25(17-27)19-35(63(57,58)59)37(39(29)51)49-47-33-14-8-24(16-22(33)2)42(54)46-28-10-12-30-26(18-28)20-36(64(60,61)62)38(40(30)52)50-48-34-6-4-3-5-31(34)43(55)56;/h3-20,51-52H,44H2,1-2H3,(H,45,53)(H,46,54)(H,55,56)(H,57,58,59)(H,60,61,62);

InChIKey

InChIKey=DMUWZMMGCOLNMH-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(C)=C(N)C=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)C7=CC=C(N)C(=C7)C)C(=C4)C

Other Names for this Substance