(2S,6S)-2-methyl-6-(phenylsulfinyl)oxan-3-one

Systemtic Name: (2S,6S)-2-methyl-6-(phenylsulfinyl)oxan-3-one Openeye Name: (2S,6S)-6-(benzenesulfinyl)-2-methyl-tetrahydropyran-3-one CAS Name: (2S,6S)-6-(benzenesulfinyl)-2-methyl-3-oxanone IUPAC Name: (2S,6S)-6-(benzenesulfinyl)-2-methyloxan-3-one Traditional Name: (2S,6S)-6-(benzenesulfinyl)-2-methyl-tetrahydropyran-3-one Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)CCC(O1)S(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1C(=O)CC[C@@H](O1)S(=O)C2=CC=CC=C2

InChI

InChI=1S/C12H14O3S/c1-9-11(13)7-8-12(15-9)16(14)10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3/t9-,12-,16?/m0/s1