[(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)pent-2-enyl]-triphenyl-phosphanium

Systemtic Name: [(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxidanylidene-cyclohexen-1-yl)pent-2-enyl]-triphenyl-phosphanium Openeye Name: [(E)-3-methyl-5-(p-tolylsulfonyl)-5-(2,6,6-trimethyl-3-oxo-cyclohexen-1-yl)pent-2-enyl]-triphenyl-phosphonium CAS Name: [(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxo-1-cyclohexenyl)pent-2-enyl]-triphenylphosphonium IUPAC Name: [(E)-3-methyl-5-(4-methylphenyl)sulfonyl-5-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)pent-2-enyl]-triphenylphosphanium Traditional Name: [(E)-5-(3-keto-2,6,6-trimethyl-cyclohexen-1-yl)-3-methyl-5-tosyl-pent-2-enyl]-triphenyl-phosphonium Formula: C40H44O3PS+ MolecularWeight: 635.814321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C)C5=C(C(=O)CCC5(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C/C(=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C)C5=C(C(=O)CCC5(C)C)C

InChI

InChI=1S/C40H44O3PS/c1-30-21-23-36(24-22-30)45(42,43)38(39-32(3)37(41)25-27-40(39,4)5)29-31(2)26-28-44(33-15-9-6-10-16-33,34-17-11-7-12-18-34)35-19-13-8-14-20-35/h6-24,26,38H,25,27-29H2,1-5H3/q+1/b31-26+