8-(phenylsulfanylmethyl)bicyclo[5.3.1]undec-7-en-9-one

Systemtic Name: 8-(phenylsulfanylmethyl)bicyclo[5.3.1]undec-7-en-9-one Openeye Name: 8-(phenylsulfanylmethyl)bicyclo[5.3.1]undec-7-en-9-one CAS Name: 8-[(phenylthio)methyl]-9-bicyclo[5.3.1]undec-7-enone IUPAC Name: 8-(phenylsulfanylmethyl)bicyclo[5.3.1]undec-7-en-9-one Traditional Name: 8-[(phenylthio)methyl]bicyclo[5.3.1]undec-7-en-9-one Formula: C18H22OS MolecularWeight: 286.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CC(=C(C(=O)C2)CSC3=CC=CC=C3)CC1

Isomeric SMILES

C1CCC2CC(=C(C(=O)C2)CSC3=CC=CC=C3)CC1

InChI

InChI=1S/C18H22OS/c19-18-12-14-7-3-1-4-8-15(11-14)17(18)13-20-16-9-5-2-6-10-16/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2