[(3S)-2-oxidanylideneoxolan-3-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C18H15NO6S MolecularWeight: 373.3798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC3CCOC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)O[C@H]3CCOC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H15NO6S/c1-11-2-5-13(6-3-11)26-16-7-4-12(10-14(16)19(22)23)17(20)25-15-8-9-24-18(15)21/h2-7,10,15H,8-9H2,1H3/t15-/m0/s1