2-Anthracenesulfonic acid, 1-amino-4-[[4-[[[(2,3-dichloro-6-quinoxalinyl)carbonyl]methylamino]methyl]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt

83399-87-5

CAS Name

2-Anthracenesulfonic acid, 1-amino-4-[[4-[[[(2,3-dichloro-6-quinoxalinyl)carbonyl]methylamino]methyl]-2-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:2)

Molecular Formula

C₃₁H₂₁Cl₂N₅O₉S₂.2Na

Other Names and Identifiers

InChI

InChI=1S/C31H21Cl2N5O9S2.2Na/c1-38(31(41)15-7-9-18-20(11-15)37-30(33)29(32)36-18)13-14-6-8-19(22(10-14)48(42,43)44)35-21-12-23(49(45,46)47)26(34)25-24(21)27(39)16-4-2-3-5-17(16)28(25)40;;/h2-12,35H,13,34H2,1H3,(H,42,43,44)(H,45,46,47);;

InChIKey

InChIKey=BXQXTEVYWGFIDC-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(S(=O)(=O)O)C=C(CN(C(=O)C5=CC6=C(C=C5)N=C(Cl)C(Cl)=N6)C)C=C4.[Na]

Canonical SMILES

[Na].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C=C4S(=O)(=O)O)CN(C(=O)C=5C=CC6=NC(Cl)=C(Cl)N=C6C5)C

Other Names for this Substance