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

Systemtic Name: 5-(phenylsulfonyl)hepta-5,6-dien-2-one Openeye Name: 5-(benzenesulfonyl)hepta-5,6-dien-2-one CAS Name: 5-(benzenesulfonyl)-2-hepta-5,6-dienone IUPAC Name: 5-(benzenesulfonyl)hepta-5,6-dien-2-one Traditional Name: 5-besylhepta-5,6-dien-2-one Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3S/c1-3-12(10-9-11(2)14)17(15,16)13-7-5-4-6-8-13/h4-8H,1,9-10H2,2H3