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

Systemtic Name: 1-azanyl-4-[(5-azanyl-2-methyl-4-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(5-amino-2-methyl-4-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(5-amino-2-methyl-4-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(5-amino-2-methyl-4-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(5-amino-2-methyl-4-sulfo-anilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H17N3O8S2 MolecularWeight: 503.50498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H17N3O8S2/c1-9-6-15(33(27,28)29)12(22)7-13(9)24-14-8-16(34(30,31)32)19(23)18-17(14)20(25)10-4-2-3-5-11(10)21(18)26/h2-8,24H,22-23H2,1H3,(H,27,28,29)(H,30,31,32)