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

Systemtic Name: 1-azanyl-4-[[4-(methylamino)-2-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-(methylamino)-2-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-(methylamino)-2-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-(methylamino)-2-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-(methylamino)-2-sulfo-anilino]anthracene-2-sulfonic acid Formula: C21H17N3O8S2 MolecularWeight: 503.50498

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CNC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C21H17N3O8S2/c1-23-10-6-7-13(15(8-10)33(27,28)29)24-14-9-16(34(30,31)32)19(22)18-17(14)20(25)11-4-2-3-5-12(11)21(18)26/h2-9,23-24H,22H2,1H3,(H,27,28,29)(H,30,31,32)