3,4,4-trimethyl-3-(phenylmethylsulfanyl)pentan-2-one

Systemtic Name: 3,4,4-trimethyl-3-(phenylmethylsulfanyl)pentan-2-one Openeye Name: 3-benzylsulfanyl-3,4,4-trimethyl-pentan-2-one CAS Name: 3,4,4-trimethyl-3-(phenylmethylthio)-2-pentanone IUPAC Name: 3-benzylsulfanyl-3,4,4-trimethylpentan-2-one Traditional Name: 3-(benzylthio)-3,4,4-trimethyl-pentan-2-one Formula: C15H22OS MolecularWeight: 250.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C(C)(C)C)SCC1=CC=CC=C1

Isomeric SMILES

CC(=O)C(C)(C(C)(C)C)SCC1=CC=CC=C1

InChI

InChI=1S/C15H22OS/c1-12(16)15(5,14(2,3)4)17-11-13-9-7-6-8-10-13/h6-10H,11H2,1-5H3