3-(4-nitrophenyl)sulfanyl-6-oxidanylidene-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 3-(4-nitrophenyl)sulfanyl-6-oxidanylidene-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 3-(4-nitrophenyl)sulfanyl-6-oxo-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 3-[(4-nitrophenyl)thio]-6-oxo-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 3-(4-nitrophenyl)sulfanyl-6-oxobicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 6-keto-3-[(4-nitrophenyl)thio]bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C14H11NO5S MolecularWeight: 305.30584

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(=C(C2C1=O)C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1C2CC(=C(C2C1=O)C(=O)O)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5S/c16-10-5-7-6-11(13(12(7)10)14(17)18)21-9-3-1-8(2-4-9)15(19)20/h1-4,7,12H,5-6H2,(H,17,18)