4,4′-[Methylenebis[(2,4,6-trimethyl-3,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid]

1184179-46-1

CAS Name

4,4′-[Methylenebis[(2,4,6-trimethyl-3,1-phenylene)imino]]bis[1-amino-9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid]

Molecular Formula

C₄₇H₄₀N₄O₁₀S₂

Molecular Mass

884.97

Other Names and Identifiers

InChI

InChI=1S/C47H40N4O10S2/c1-20-15-22(3)42(50-32-18-34(62(56,57)58)40(48)38-36(32)44(52)26-11-7-9-13-28(26)46(38)54)24(5)30(20)17-31-21(2)16-23(4)43(25(31)6)51-33-19-35(63(59,60)61)41(49)39-37(33)45(53)27-12-8-10-14-29(27)47(39)55/h7-16,18-19,50-51H,17,48-49H2,1-6H3,(H,56,57,58)(H,59,60,61)

InChIKey

InChIKey=APKYGCAVHHKZJP-UHFFFAOYSA-N

SMILES

N(C1=C2C(C(=O)C=3C(C2=O)=CC=CC3)=C(N)C(S(=O)(=O)O)=C1)C4=C(C)C(CC5=C(C)C(NC6=C7C(C(=O)C=8C(C7=O)=CC=CC8)=C(N)C(S(=O)(=O)O)=C6)=C(C)C=C5C)=C(C)C=C4C

Canonical SMILES

O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=C(C=C(C(=C4C)CC=5C(=CC(=C(NC=6C=C(C(N)=C7C(=O)C=8C=CC=CC8C(=O)C67)S(=O)(=O)O)C5C)C)C)C)C

Other Names for this Substance