6-oxidanylidene-7-[oxidanyl(phenyl)methyl]-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-7-[oxidanyl(phenyl)methyl]-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Openeye Name: 7-[hydroxy(phenyl)methyl]-6-oxo-3-phenylsulfanyl-bicyclo[3.2.0]hept-3-ene-4-carboxylic acid CAS Name: 7-[hydroxy(phenyl)methyl]-6-oxo-3-(phenylthio)-4-bicyclo[3.2.0]hept-3-enecarboxylic acid IUPAC Name: 7-[hydroxy(phenyl)methyl]-6-oxo-3-phenylsulfanylbicyclo[3.2.0]hept-3-ene-4-carboxylic acid Traditional Name: 7-[hydroxy(phenyl)methyl]-6-keto-3-(phenylthio)bicyclo[3.2.0]hept-3-ene-4-carboxylic acid Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(=O)C2C(C3=CC=CC=C3)O)C(=C1SC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2C(C(=O)C2C(C3=CC=CC=C3)O)C(=C1SC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18O4S/c22-19(12-7-3-1-4-8-12)17-14-11-15(26-13-9-5-2-6-10-13)18(21(24)25)16(14)20(17)23/h1-10,14,16-17,19,22H,11H2,(H,24,25)