4-methyl-4-(phenylmethyl)sulfonyl-pentan-2-one

Systemtic Name: 4-methyl-4-(phenylmethyl)sulfonyl-pentan-2-one Openeye Name: 4-benzylsulfonyl-4-methyl-pentan-2-one CAS Name: 4-methyl-4-(phenylmethyl)sulfonyl-2-pentanone IUPAC Name: 4-benzylsulfonyl-4-methylpentan-2-one Traditional Name: 4-benzylsulfonyl-4-methyl-pentan-2-one Formula: C13H18O3S MolecularWeight: 254.34522

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)S(=O)(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(C)(C)S(=O)(=O)CC1=CC=CC=C1

InChI

InChI=1S/C13H18O3S/c1-11(14)9-13(2,3)17(15,16)10-12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3