1-Naphthalenesulfonic acid, 4-[[1-hydroxy-6-[[[[5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-, sodium salt

83221-77-6

CAS Name

1-Naphthalenesulfonic acid, 4-[2-[1-hydroxy-6-[[[[5-hydroxy-6-(2-phenyldiazenyl)-7-sulfo-2-naphthalenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:?)

Molecular Formula

C₃₇H₂₆N₆O₁₂S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C37H26N6O12S3.Na/c44-35-25-12-10-23(16-20(25)18-31(57(50,51)52)33(35)42-40-22-6-2-1-3-7-22)38-37(46)39-24-11-13-26-21(17-24)19-32(58(53,54)55)34(36(26)45)43-41-29-14-15-30(56(47,48)49)28-9-5-4-8-27(28)29;/h1-19,44-45H,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);

InChIKey

InChIKey=OALOXRRBXUNTJM-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(NC(NC5=CC6=C(C=C5)C(O)=C(N=NC7=CC=CC=C7)C(S(=O)(=O)O)=C6)=O)C=C2.[Na]

Canonical SMILES

[Na].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3)C2O)S(=O)(=O)O)NC=4C=CC=5C(C4)=CC(=C(N=NC6=CC=C(C=7C=CC=CC67)S(=O)(=O)O)C5O)S(=O)(=O)O

Other Names for this Substance