(E)-3-methyl-5-(phenylsulfonyl)-5-(2,5,5-trimethyl-3-oxidanylidene-cyclopenten-1-yl)pent-2-enal

Systemtic Name: (E)-3-methyl-5-(phenylsulfonyl)-5-(2,5,5-trimethyl-3-oxidanylidene-cyclopenten-1-yl)pent-2-enal Openeye Name: (E)-5-(benzenesulfonyl)-3-methyl-5-(2,5,5-trimethyl-3-oxo-cyclopenten-1-yl)pent-2-enal CAS Name: (E)-5-(benzenesulfonyl)-3-methyl-5-(2,5,5-trimethyl-3-oxo-1-cyclopentenyl)-2-pentenal IUPAC Name: (E)-5-(benzenesulfonyl)-3-methyl-5-(2,5,5-trimethyl-3-oxocyclopenten-1-yl)pent-2-enal Traditional Name: (E)-5-besyl-5-(3-keto-2,5,5-trimethyl-cyclopenten-1-yl)-3-methyl-pent-2-enal Formula: C20H24O4S MolecularWeight: 360.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC1=O)(C)C)C(CC(=CC=O)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(CC1=O)(C)C)C(C/C(=C/C=O)/C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H24O4S/c1-14(10-11-21)12-18(19-15(2)17(22)13-20(19,3)4)25(23,24)16-8-6-5-7-9-16/h5-11,18H,12-13H2,1-4H3/b14-10+