(E)-2,2-dimethyl-5-(phenylsulfonyl)pent-4-enal

Systemtic Name: (E)-2,2-dimethyl-5-(phenylsulfonyl)pent-4-enal Openeye Name: (E)-5-(benzenesulfonyl)-2,2-dimethyl-pent-4-enal CAS Name: (E)-5-(benzenesulfonyl)-2,2-dimethyl-4-pentenal IUPAC Name: (E)-5-(benzenesulfonyl)-2,2-dimethylpent-4-enal Traditional Name: (E)-5-besyl-2,2-dimethyl-pent-4-enal Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O3S/c1-13(2,11-14)9-6-10-17(15,16)12-7-4-3-5-8-12/h3-8,10-11H,9H2,1-2H3/b10-6+