3-ethoxy-5-methyl-5-[(E)-4-methyl-5-oxidanyl-6-(phenylsulfinyl)hex-3-enyl]cyclopent-2-en-1-one

Systemtic Name: 3-ethoxy-5-methyl-5-[(E)-4-methyl-5-oxidanyl-6-(phenylsulfinyl)hex-3-enyl]cyclopent-2-en-1-one Openeye Name: 5-[(E)-6-(benzenesulfinyl)-5-hydroxy-4-methyl-hex-3-enyl]-3-ethoxy-5-methyl-cyclopent-2-en-1-one CAS Name: 5-[(E)-6-(benzenesulfinyl)-5-hydroxy-4-methylhex-3-enyl]-3-ethoxy-5-methyl-1-cyclopent-2-enone IUPAC Name: 5-[(E)-6-(benzenesulfinyl)-5-hydroxy-4-methylhex-3-enyl]-3-ethoxy-5-methylcyclopent-2-en-1-one Traditional Name: 5-[(E)-6-(benzenesulfinyl)-5-hydroxy-4-methyl-hex-3-enyl]-3-ethoxy-5-methyl-cyclopent-2-en-1-one Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(C1)(C)CCC=C(C)C(CS(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCOC1=CC(=O)C(C1)(C)CC/C=C(\C)/C(CS(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C21H28O4S/c1-4-25-17-13-20(23)21(3,14-17)12-8-9-16(2)19(22)15-26(24)18-10-6-5-7-11-18/h5-7,9-11,13,19,22H,4,8,12,14-15H2,1-3H3/b16-9+