[2-methoxy-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(E)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C17H13N3O7S2 MolecularWeight: 435.43102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7S2/c1-26-14-9-10(8-11-16(21)19-17(28)18-11)6-7-13(14)27-29(24,25)15-5-3-2-4-12(15)20(22)23/h2-9H,1H3,(H2,18,19,21,28)/b11-8+