2-[3-(1,3-dioxan-2-yl)-1-phenylsulfanyl-propyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[3-(1,3-dioxan-2-yl)-1-phenylsulfanyl-propyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 2-[3-(1,3-dioxan-2-yl)-1-phenylsulfanyl-propyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 2-[3-(1,3-dioxan-2-yl)-1-(phenylthio)propyl]-3-hydroxy-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 2-[3-(1,3-dioxan-2-yl)-1-phenylsulfanylpropyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 2-[3-(1,3-dioxan-2-yl)-1-(phenylthio)propyl]-3-hydroxy-5,5-dimethyl-cyclohex-2-en-1-one Formula: C21H28O4S MolecularWeight: 376.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(CCC2OCCCO2)SC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(CCC2OCCCO2)SC3=CC=CC=C3)O)C

InChI

InChI=1S/C21H28O4S/c1-21(2)13-16(22)20(17(23)14-21)18(26-15-7-4-3-5-8-15)9-10-19-24-11-6-12-25-19/h3-5,7-8,18-19,22H,6,9-14H2,1-2H3