7-(1-hydroxyethyl)-6-oxidanylidene-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 7-(1-hydroxyethyl)-6-oxidanylidene-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 7-(1-hydroxyethyl)-6-oxo-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 7-(1-hydroxyethyl)-6-oxo-3-(phenylthio)-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 7-(1-hydroxyethyl)-6-oxo-3-phenylsulfanylbicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 7-(1-hydroxyethyl)-6-keto-3-(phenylthio)bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C16H16O4S MolecularWeight: 304.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(C2C1=O)C(=O)O)SC3=CC=CC=C3)O

Isomeric SMILES

CC(C1C2CC(=C(C2C1=O)C(=O)O)SC3=CC=CC=C3)O

InChI

InChI=1S/C16H16O4S/c1-8(17)12-10-7-11(21-9-5-3-2-4-6-9)14(16(19)20)13(10)15(12)18/h2-6,8,10,12-13,17H,7H2,1H3,(H,19,20)