3-methyl-5-(phenylsulfonyl)hepta-5,6-dien-2-one

Systemtic Name: 3-methyl-5-(phenylsulfonyl)hepta-5,6-dien-2-one Openeye Name: 5-(benzenesulfonyl)-3-methyl-hepta-5,6-dien-2-one CAS Name: 5-(benzenesulfonyl)-3-methyl-2-hepta-5,6-dienone IUPAC Name: 5-(benzenesulfonyl)-3-methylhepta-5,6-dien-2-one Traditional Name: 5-besyl-3-methyl-hepta-5,6-dien-2-one Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O3S/c1-4-13(10-11(2)12(3)15)18(16,17)14-8-6-5-7-9-14/h5-9,11H,1,10H2,2-3H3