4,4-dimethyl-5-(phenylsulfanylmethyl)oxolan-2-one

Systemtic Name: 4,4-dimethyl-5-(phenylsulfanylmethyl)oxolan-2-one Openeye Name: 4,4-dimethyl-5-(phenylsulfanylmethyl)tetrahydrofuran-2-one CAS Name: 4,4-dimethyl-5-[(phenylthio)methyl]-2-oxolanone IUPAC Name: 4,4-dimethyl-5-(phenylsulfanylmethyl)oxolan-2-one Traditional Name: 4,4-dimethyl-5-[(phenylthio)methyl]tetrahydrofuran-2-one Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)OC1CSC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)OC1CSC2=CC=CC=C2)C

InChI

InChI=1S/C13H16O2S/c1-13(2)8-12(14)15-11(13)9-16-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3