(E)-3,3-dimethyl-5-(phenylsulfonyl)pent-4-enal

Systemtic Name: (E)-3,3-dimethyl-5-(phenylsulfonyl)pent-4-enal Openeye Name: (E)-5-(benzenesulfonyl)-3,3-dimethyl-pent-4-enal CAS Name: (E)-5-(benzenesulfonyl)-3,3-dimethyl-4-pentenal IUPAC Name: (E)-5-(benzenesulfonyl)-3,3-dimethylpent-4-enal Traditional Name: (E)-5-besyl-3,3-dimethyl-pent-4-enal Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC=O)C=CS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-13(2,8-10-14)9-11-17(15,16)12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3/b11-9+