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

Systemtic Name: 3-phenylsulfanyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)butan-2-one Openeye Name: 3-phenylsulfanyl-4-(2,2,6-trimethylnorcaran-1-yl)butan-2-one CAS Name: 3-(phenylthio)-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)-2-butanone IUPAC Name: 3-phenylsulfanyl-4-(1,5,5-trimethyl-6-bicyclo[4.1.0]heptanyl)butan-2-one Traditional Name: 3-(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:

CC(=O)C(CC12CC1(CCCC2(C)C)C)SC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(CC12CC1(CCCC2(C)C)C)SC3=CC=CC=C3

InChI

InChI=1S/C20H28OS/c1-15(21)17(22-16-9-6-5-7-10-16)13-20-14-19(20,4)12-8-11-18(20,2)3/h5-7,9-10,17H,8,11-14H2,1-4H3