1-azanyl-4-[(5-azanyl-2-methoxy-4-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(5-azanyl-2-methoxy-4-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(5-amino-2-methoxy-4-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(5-amino-2-methoxy-4-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(5-amino-2-methoxy-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(5-amino-2-methoxy-4-sulfo-anilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H17N3O9S2 MolecularWeight: 519.50438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)N)S(=O)(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O9S2/c1-33-14-8-15(34(27,28)29)11(22)6-12(14)24-13-7-16(35(30,31)32)19(23)18-17(13)20(25)9-4-2-3-5-10(9)21(18)26/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)