5-azanyl-8-[(3-azanyl-2-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid

Systemtic Name: 5-azanyl-8-[(3-azanyl-2-methyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid Openeye Name: 5-amino-8-(3-amino-2-methyl-anilino)-9,10-dioxo-anthracene-1,6-disulfonic acid CAS Name: 5-amino-8-(3-amino-2-methylanilino)-9,10-dioxoanthracene-1,6-disulfonic acid IUPAC Name: 5-amino-8-(3-amino-2-methylanilino)-9,10-dioxoanthracene-1,6-disulfonic acid Traditional Name: 5-amino-8-(3-amino-2-methyl-anilino)-9,10-diketo-anthracene-1,6-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=C4S(=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=C4S(=O)(=O)O)N)S(=O)(=O)O)N

InChI

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