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

Systemtic Name: 1-azanyl-4-[(3-azanyl-2-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(3-amino-2-methyl-anilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(3-amino-2-methylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(3-amino-2-methylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(3-amino-2-methyl-anilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)N

InChI

InChI=1S/C21H17N3O5S/c1-10-13(22)7-4-8-14(10)24-15-9-16(30(27,28)29)19(23)18-17(15)20(25)11-5-2-3-6-12(11)21(18)26/h2-9,24H,22-23H2,1H3,(H,27,28,29)