1-azanyl-4-[(4-azanyl-2-methoxy-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(4-azanyl-2-methoxy-3-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(4-amino-2-methoxy-3-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(4-amino-2-methoxy-3-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(4-amino-2-methoxy-3-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(4-amino-2-methoxy-3-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=C(C=CC(=C1S(=O)(=O)O)N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1S(=O)(=O)O)N)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

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