(E)-1-(4-methoxyphenyl)-2-methylsulfonyl-7-phenyl-hept-6-ene-1,5-dione

Systemtic Name: (E)-1-(4-methoxyphenyl)-2-methylsulfonyl-7-phenyl-hept-6-ene-1,5-dione Openeye Name: (E)-1-(4-methoxyphenyl)-2-methylsulfonyl-7-phenyl-hept-6-ene-1,5-dione CAS Name: (E)-1-(4-methoxyphenyl)-2-methylsulfonyl-7-phenyl-6-heptene-1,5-dione IUPAC Name: (E)-1-(4-methoxyphenyl)-2-methylsulfonyl-7-phenylhept-6-ene-1,5-dione Traditional Name: (E)-2-mesyl-1-(4-methoxyphenyl)-7-phenyl-hept-6-ene-1,5-dione Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(CCC(=O)C=CC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CCC(=O)/C=C/C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H22O5S/c1-26-19-13-9-17(10-14-19)21(23)20(27(2,24)25)15-12-18(22)11-8-16-6-4-3-5-7-16/h3-11,13-14,20H,12,15H2,1-2H3/b11-8+