3-(phenylsulfanylmethyl)oxepan-2-one

Systemtic Name: 3-(phenylsulfanylmethyl)oxepan-2-one Openeye Name: 3-(phenylsulfanylmethyl)oxepan-2-one CAS Name: 3-[(phenylthio)methyl]-2-oxepanone IUPAC Name: 3-(phenylsulfanylmethyl)oxepan-2-one Traditional Name: 3-[(phenylthio)methyl]oxepan-2-one Formula: C13H16O2S MolecularWeight: 236.32994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(=O)C(C1)CSC2=CC=CC=C2

Isomeric SMILES

C1CCOC(=O)C(C1)CSC2=CC=CC=C2

InChI

InChI=1S/C13H16O2S/c14-13-11(6-4-5-9-15-13)10-16-12-7-2-1-3-8-12/h1-3,7-8,11H,4-6,9-10H2