[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl] 4-methoxybenzenesulfonate

Systemtic Name: [1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl] 4-methoxybenzenesulfonate Openeye Name: (1-amino-4-hydroxy-9,10-dioxo-2-anthryl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl) ester IUPAC Name: (1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (1-amino-4-hydroxy-9,10-diketo-2-anthryl) ester Formula: C21H15NO7S MolecularWeight: 425.4113

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C21H15NO7S/c1-28-11-6-8-12(9-7-11)30(26,27)29-16-10-15(23)17-18(19(16)22)21(25)14-5-3-2-4-13(14)20(17)24/h2-10,23H,22H2,1H3