1-phenylsulfanyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)butan-2-one

Systemtic Name: 1-phenylsulfanyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)butan-2-one Openeye Name: 1-phenylsulfanyl-4-(2,2,6-trimethylnorcaran-1-yl)butan-2-one CAS Name: 1-(phenylthio)-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)-2-butanone IUPAC Name: 1-phenylsulfanyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)butan-2-one Traditional Name: 1-(phenylthio)-4-(2,2,6-trimethylnorcaran-1-yl)butan-2-one Formula: C20H28OS MolecularWeight: 316.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1(C2)CCC(=O)CSC3=CC=CC=C3)C)C

Isomeric SMILES

CC1(CCCC2(C1(C2)CCC(=O)CSC3=CC=CC=C3)C)C

InChI

InChI=1S/C20H28OS/c1-18(2)11-7-12-19(3)15-20(18,19)13-10-16(21)14-22-17-8-5-4-6-9-17/h4-6,8-9H,7,10-15H2,1-3H3