4-methyl-4-(phenylmethylsulfanyl)pentan-2-one

Systemtic Name: 4-methyl-4-(phenylmethylsulfanyl)pentan-2-one Openeye Name: 4-benzylsulfanyl-4-methyl-pentan-2-one CAS Name: 4-methyl-4-(phenylmethylthio)-2-pentanone IUPAC Name: 4-benzylsulfanyl-4-methylpentan-2-one Traditional Name: 4-(benzylthio)-4-methyl-pentan-2-one Formula: C13H18OS MolecularWeight: 222.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18OS/c1-11(14)9-13(2,3)15-10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3