(3R,6S)-3-methyl-6-[(E,2S)-3-methyl-2-oxidanyl-5-(phenylsulfonyl)pent-3-enyl]oxan-2-one

Systemtic Name: (3R,6S)-3-methyl-6-[(E,2S)-3-methyl-2-oxidanyl-5-(phenylsulfonyl)pent-3-enyl]oxan-2-one Openeye Name: (3R,6S)-6-[(E,2S)-5-(benzenesulfonyl)-2-hydroxy-3-methyl-pent-3-enyl]-3-methyl-tetrahydropyran-2-one CAS Name: (3R,6S)-6-[(E,2S)-5-(benzenesulfonyl)-2-hydroxy-3-methylpent-3-enyl]-3-methyl-2-oxanone IUPAC Name: (3R,6S)-6-[(E,2S)-5-(benzenesulfonyl)-2-hydroxy-3-methylpent-3-enyl]-3-methyloxan-2-one Traditional Name: (3R,6S)-6-[(E,2S)-5-besyl-2-hydroxy-3-methyl-pent-3-enyl]-3-methyl-tetrahydropyran-2-one Formula: C18H24O5S MolecularWeight: 352.44516

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(OC1=O)CC(C(=CCS(=O)(=O)C2=CC=CC=C2)C)O

Isomeric SMILES

C[C@@H]1CC[C@H](OC1=O)C[C@@H](/C(=C/CS(=O)(=O)C2=CC=CC=C2)/C)O

InChI

InChI=1S/C18H24O5S/c1-13(10-11-24(21,22)16-6-4-3-5-7-16)17(19)12-15-9-8-14(2)18(20)23-15/h3-7,10,14-15,17,19H,8-9,11-12H2,1-2H3/b13-10+/t14-,15+,17+/m1/s1