1,5-Naphthalenedisulfonic acid, 3,3′-[(2,4,6-trimethyl-5-sulfo-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-4,1-phenylene]azo]]bis-, pentasodium salt

CAS Name

1,5-Naphthalenedisulfonic acid, 3,3′-[(2,4,6-trimethyl-5-sulfo-1,3-phenylene)bis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino[2-(acetylamino)-4,1-phenylene]-2,1-diazenediyl]]bis-, sodium salt (1:5)

Molecular Formula

C₅₁H₄₂Cl₂N₁₆O₁₇S₅.5Na

Molecular Mass

1497.16

Other Names and Identifiers

InChI

InChI=1S/C51H42Cl2N16O17S5.5Na/c1-22-43(58-50-62-46(52)60-48(64-50)56-27-12-14-35(37(18-27)54-25(4)70)68-66-29-16-33-31(41(20-29)89(78,79)80)8-6-10-39(33)87(72,73)74)23(2)45(91(84,85)86)24(3)44(22)59-51-63-47(53)61-49(65-51)57-28-13-15-36(38(19-28)55-26(5)71)69-67-30-17-34-32(42(21-30)90(81,82)83)9-7-11-40(34)88(75,76)77;;;;;/h6-21H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;;

InChIKey

InChIKey=GRYXWBPBUSDPOL-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(NC1=CC(=CC=C1N=NC=2C=C3C(C=CC=C3S(=O)(=O)O)=C(C2)S(=O)(=O)O)NC4=NC(Cl)=NC(=N4)NC=5C(=C(NC=6N=C(Cl)N=C(N6)NC7=CC=C(N=NC=8C=C9C(C=CC=C9S(=O)(=O)O)=C(C8)S(=O)(=O)O)C(=C7)NC(=O)C)C(=C(C5C)S(=O)(=O)O)C)C)C

Other Names for this Substance