1-azanyl-4-[(3-azanyl-2-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid

Systemtic Name: 1-azanyl-4-[(3-azanyl-2-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid Openeye Name: 1-amino-4-(3-amino-2-methyl-anilino)-9,10-dioxo-anthracene-2,6-disulfonic acid CAS Name: 1-amino-4-(3-amino-2-methylanilino)-9,10-dioxoanthracene-2,6-disulfonic acid IUPAC Name: 1-amino-4-(3-amino-2-methylanilino)-9,10-dioxoanthracene-2,6-disulfonic acid Traditional Name: 1-amino-4-(3-amino-2-methyl-anilino)-9,10-diketo-anthracene-2,6-disulfonic acid Formula: C21H17N3O8S2 MolecularWeight: 503.50498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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