(2E)-2-octylidene-3-phenylsulfanyl-cyclohexan-1-one

Systemtic Name: (2E)-2-octylidene-3-phenylsulfanyl-cyclohexan-1-one Openeye Name: (2E)-2-octylidene-3-phenylsulfanyl-cyclohexanone CAS Name: (2E)-2-octylidene-3-(phenylthio)-1-cyclohexanone IUPAC Name: (2E)-2-octylidene-3-phenylsulfanylcyclohexan-1-one Traditional Name: (2E)-2-octylidene-3-(phenylthio)cyclohexanone Formula: C20H28OS MolecularWeight: 316.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=C1C(CCCC1=O)SC2=CC=CC=C2

Isomeric SMILES

CCCCCCC/C=C\1/C(CCCC1=O)SC2=CC=CC=C2

InChI

InChI=1S/C20H28OS/c1-2-3-4-5-6-10-14-18-19(21)15-11-16-20(18)22-17-12-8-7-9-13-17/h7-9,12-14,20H,2-6,10-11,15-16H2,1H3/b18-14+