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

Systemtic Name: 2-[[4-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]oxyphenyl]methyl]benzenesulfonate Openeye Name: 2-[[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl]methyl]benzenesulfonate CAS Name: 2-[[4-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenyl]methyl]benzenesulfonate IUPAC Name: 2-[[4-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxyphenyl]methyl]benzenesulfonate Traditional Name: 2-[4-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)oxy]benzyl]besylate Formula: C27H18NO7S- MolecularWeight: 500.49932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CC=C(C=C2)OC3=C(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)[O-]

InChI

InChI=1S/C27H19NO7S/c28-25-21(14-20(29)23-24(25)27(31)19-7-3-2-6-18(19)26(23)30)35-17-11-9-15(10-12-17)13-16-5-1-4-8-22(16)36(32,33)34/h1-12,14,29H,13,28H2,(H,32,33,34)/p-1