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

Systemtic Name: [1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl] 4-ethoxybenzenesulfonate Openeye Name: (1-amino-4-hydroxy-9,10-dioxo-2-anthryl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl) ester IUPAC Name: (1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (1-amino-4-hydroxy-9,10-diketo-2-anthryl) ester Formula: C22H17NO7S MolecularWeight: 439.43788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCOC1=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/C22H17NO7S/c1-2-29-12-7-9-13(10-8-12)31(27,28)30-17-11-16(24)18-19(20(17)23)22(26)15-6-4-3-5-14(15)21(18)25/h3-11,24H,2,23H2,1H3