1-azanyl-4-[(2,3-dimethyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(2,3-dimethyl-5-sulfo-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(2,3-dimethyl-5-sulfo-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(2,3-dimethyl-5-sulfoanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(2,3-dimethyl-5-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(2,3-dimethyl-5-sulfo-anilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C22H18N2O8S2 MolecularWeight: 502.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H18N2O8S2/c1-10-7-12(33(27,28)29)8-15(11(10)2)24-16-9-17(34(30,31)32)20(23)19-18(16)21(25)13-5-3-4-6-14(13)22(19)26/h3-9,24H,23H2,1-2H3,(H,27,28,29)(H,30,31,32)