2-azanyl-5-[[4-azanyl-3-methoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[[4-azanyl-3-methoxy-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzenesulfonic acid Openeye Name: 2-amino-5-[(4-amino-3-methoxy-9,10-dioxo-1-anthryl)amino]benzenesulfonic acid CAS Name: 2-amino-5-[(4-amino-3-methoxy-9,10-dioxo-1-anthracenyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-5-[(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)amino]benzenesulfonic acid Traditional Name: 2-amino-5-[(4-amino-9,10-diketo-3-methoxy-1-anthryl)amino]besylic acid Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)NC3=CC(=C(C=C3)N)S(=O)(=O)O)C(=O)C4=CC=CC=C4C2=O)N

Isomeric SMILES

COC1=C(C2=C(C(=C1)NC3=CC(=C(C=C3)N)S(=O)(=O)O)C(=O)C4=CC=CC=C4C2=O)N

InChI

InChI=1S/C21H17N3O6S/c1-30-15-9-14(24-10-6-7-13(22)16(8-10)31(27,28)29)17-18(19(15)23)21(26)12-5-3-2-4-11(12)20(17)25/h2-9,24H,22-23H2,1H3,(H,27,28,29)