1-azanyl-4-[[4-methyl-2-(methylaminomethyl)-6-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[4-methyl-2-(methylaminomethyl)-6-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[4-methyl-2-(methylaminomethyl)-6-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[4-methyl-2-(methylaminomethyl)-6-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[4-methyl-2-(methylaminomethyl)-6-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-9,10-diketo-4-[4-methyl-2-(methylaminomethyl)-6-sulfo-anilino]anthracene-2-sulfonic acid Formula: C23H21N3O8S2 MolecularWeight: 531.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)CNC

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)CNC

InChI

InChI=1S/C23H21N3O8S2/c1-11-7-12(10-25-2)21(17(8-11)36(32,33)34)26-15-9-16(35(29,30)31)20(24)19-18(15)22(27)13-5-3-4-6-14(13)23(19)28/h3-9,25-26H,10,24H2,1-2H3,(H,29,30,31)(H,32,33,34)