2-(4H-1,3-dioxin-6-ylmethyl)-6-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: 2-(4H-1,3-dioxin-6-ylmethyl)-6-phenylsulfanyl-cyclohexan-1-one Openeye Name: 2-(4H-1,3-dioxin-6-ylmethyl)-6-phenylsulfanyl-cyclohexanone CAS Name: 2-(4H-1,3-dioxin-6-ylmethyl)-6-(phenylthio)-1-cyclohexanone IUPAC Name: 2-(4H-1,3-dioxin-6-ylmethyl)-6-phenylsulfanylcyclohexan-1-one Traditional Name: 2-(4H-1,3-dioxin-6-ylmethyl)-6-(phenylthio)cyclohexanone Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C(C1)SC2=CC=CC=C2)CC3=CCOCO3

Isomeric SMILES

C1CC(C(=O)C(C1)SC2=CC=CC=C2)CC3=CCOCO3

InChI

InChI=1S/C17H20O3S/c18-17-13(11-14-9-10-19-12-20-14)5-4-8-16(17)21-15-6-2-1-3-7-15/h1-3,6-7,9,13,16H,4-5,8,10-12H2