6-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-7-(2-oxidanylpropan-2-yl)-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 7-(1-hydroxy-1-methyl-ethyl)-6-oxo-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 7-(2-hydroxypropan-2-yl)-6-oxo-3-(phenylthio)-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 7-(2-hydroxypropan-2-yl)-6-oxo-3-phenylsulfanylbicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 7-(1-hydroxy-1-methyl-ethyl)-6-keto-3-(phenylthio)bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4S/c1-17(2,21)14-10-8-11(22-9-6-4-3-5-7-9)13(16(19)20)12(10)15(14)18/h3-7,10,12,14,21H,8H2,1-2H3,(H,19,20)