[4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C16H10N2O6S3 MolecularWeight: 422.4554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C3C(=O)NC(=S)S3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O6S3/c19-15-14(26-16(25)17-15)8-10-4-6-12(7-5-10)24-27(22,23)13-3-1-2-11(9-13)18(20)21/h1-9H,(H,17,19,25)