3-phenylsulfanyl-4-(2,3,3-trimethylcyclohexen-1-yl)butan-2-one

Systemtic Name: 3-phenylsulfanyl-4-(2,3,3-trimethylcyclohexen-1-yl)butan-2-one Openeye Name: 3-phenylsulfanyl-4-(2,3,3-trimethylcyclohexen-1-yl)butan-2-one CAS Name: 3-(phenylthio)-4-(2,3,3-trimethyl-1-cyclohexenyl)-2-butanone IUPAC Name: 3-phenylsulfanyl-4-(2,3,3-trimethylcyclohexen-1-yl)butan-2-one Traditional Name: 3-(phenylthio)-4-(2,3,3-trimethylcyclohexen-1-yl)butan-2-one Formula: C19H26OS MolecularWeight: 302.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCCC1(C)C)CC(C(=O)C)SC2=CC=CC=C2

Isomeric SMILES

CC1=C(CCCC1(C)C)CC(C(=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C19H26OS/c1-14-16(9-8-12-19(14,3)4)13-18(15(2)20)21-17-10-6-5-7-11-17/h5-7,10-11,18H,8-9,12-13H2,1-4H3