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

Systemtic Name: 8-[(3-aminophenyl)amino]-5-azanyl-9,10-bis(oxidanylidene)anthracene-1,6-disulfonic acid Openeye Name: 5-amino-8-(3-aminoanilino)-9,10-dioxo-anthracene-1,6-disulfonic acid CAS Name: 5-amino-8-(3-aminoanilino)-9,10-dioxoanthracene-1,6-disulfonic acid IUPAC Name: 5-amino-8-(3-aminoanilino)-9,10-dioxoanthracene-1,6-disulfonic acid Traditional Name: 5-amino-8-(3-aminoanilino)-9,10-diketo-anthracene-1,6-disulfonic acid Formula: C20H15N3O8S2 MolecularWeight: 489.4784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)O)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4S(=O)(=O)O)N)S(=O)(=O)O)N

InChI

InChI=1S/C20H15N3O8S2/c21-9-3-1-4-10(7-9)23-12-8-14(33(29,30)31)18(22)17-16(12)20(25)15-11(19(17)24)5-2-6-13(15)32(26,27)28/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)