3,3-dimethyl-1-phenethylsulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-phenethylsulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-phenethylsulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-(phenethylthio)-2-butanone IUPAC Name: 3,3-dimethyl-1-phenethylsulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-(phenethylthio)butan-2-one Formula: C14H20OS MolecularWeight: 236.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSCCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)CSCCC1=CC=CC=C1

InChI

InChI=1S/C14H20OS/c1-14(2,3)13(15)11-16-10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3