1-azanyl-4-[(4-dodecoxysulfonylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(4-dodecoxysulfonylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(4-dodecoxysulfonylanilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(4-dodecoxysulfonylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(4-dodecoxysulfonylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-(4-lauryloxysulfonylanilino)anthracene-2-sulfonic acid Formula: C32H38N2O8S2 MolecularWeight: 642.78272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C32H38N2O8S2/c1-2-3-4-5-6-7-8-9-10-13-20-42-44(40,41)23-18-16-22(17-19-23)34-26-21-27(43(37,38)39)30(33)29-28(26)31(35)24-14-11-12-15-25(24)32(29)36/h11-12,14-19,21,34H,2-10,13,20,33H2,1H3,(H,37,38,39)