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

83221-78-7

CAS Name

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

Molecular Formula

C₃₈H₂₈N₆O₁₃S₃.xNa

Other Names and Identifiers

InChI

InChI=1S/C38H28N6O13S3.Na/c1-57-30-9-5-4-8-29(30)42-44-35-33(60(54,55)56)19-21-17-23(11-13-25(21)37(35)46)40-38(47)39-22-10-12-24-20(16-22)18-32(59(51,52)53)34(36(24)45)43-41-28-14-15-31(58(48,49)50)27-7-3-2-6-26(27)28;/h2-19,45-46H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);

InChIKey

InChIKey=FHJQIPCWOWIQLG-UHFFFAOYSA-N

SMILES

N(=NC=1C(S(=O)(=O)O)=CC2=C(C1O)C=CC(NC(NC3=CC4=C(C=C3)C(O)=C(N=NC5=C(OC)C=CC=C5)C(S(=O)(=O)O)=C4)=O)=C2)C=6C7=C(C(S(=O)(=O)O)=CC6)C=CC=C7.[Na]

Canonical SMILES

[Na].O=C(NC=1C=CC2=C(O)C(N=NC=3C=CC=CC3OC)=C(C=C2C1)S(=O)(=O)O)NC=4C=CC5=C(O)C(N=NC6=CC=C(C=7C=CC=CC67)S(=O)(=O)O)=C(C=C5C4)S(=O)(=O)O

Other Names for this Substance