(5E)-2,7,7-trimethyl-5-(phenylsulfonyl)octa-2,5-dien-4-one

Systemtic Name: (5E)-2,7,7-trimethyl-5-(phenylsulfonyl)octa-2,5-dien-4-one Openeye Name: (5E)-5-(benzenesulfonyl)-2,7,7-trimethyl-octa-2,5-dien-4-one CAS Name: (5E)-5-(benzenesulfonyl)-2,7,7-trimethyl-4-octa-2,5-dienone IUPAC Name: (5E)-5-(benzenesulfonyl)-2,7,7-trimethylocta-2,5-dien-4-one Traditional Name: (5E)-5-besyl-2,7,7-trimethyl-octa-2,5-dien-4-one Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3S/c1-13(2)11-15(18)16(12-17(3,4)5)21(19,20)14-9-7-6-8-10-14/h6-12H,1-5H3/b16-12+