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

Systemtic Name: 1-azanyl-4-[[4-(4-azanyl-2-sulfo-phenyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(4-amino-2-sulfo-phenyl)anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(4-amino-2-sulfophenyl)anilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-(4-amino-2-sulfophenyl)anilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[4-(4-amino-2-sulfo-phenyl)anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C26H19N3O8S2 MolecularWeight: 565.57436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)C5=C(C=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)C5=C(C=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C26H19N3O8S2/c27-14-7-10-16(20(11-14)38(32,33)34)13-5-8-15(9-6-13)29-19-12-21(39(35,36)37)24(28)23-22(19)25(30)17-3-1-2-4-18(17)26(23)31/h1-12,29H,27-28H2,(H,32,33,34)(H,35,36,37)