6-oxidanylidene-7-(2-oxidanylpropan-2-yl)-5-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-7-(2-oxidanylpropan-2-yl)-5-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 7-(1-hydroxy-1-methyl-ethyl)-6-oxo-5-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 7-(2-hydroxypropan-2-yl)-6-oxo-5-(phenylthio)-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 7-(2-hydroxypropan-2-yl)-6-oxo-5-phenylsulfanylbicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 7-(1-hydroxy-1-methyl-ethyl)-6-keto-5-(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(C2(C1=O)SC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CC(C)(C1C2CC=C(C2(C1=O)SC3=CC=CC=C3)C(=O)O)O

InChI

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