methyl 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanylidene-6-phenyl-hexanoate

Systemtic Name: methyl 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanylidene-6-phenyl-hexanoate Openeye Name: methyl 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxo-6-phenyl-hexanoate CAS Name: 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxo-6-phenylhexanoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxo-6-phenylhexanoate Traditional Name: 2-keto-3-[(4-methoxyphenyl)sulfonylmethyl]-6-phenyl-hexanoic acid methyl ester Formula: C21H24O6S MolecularWeight: 404.47666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)CC(CCCC2=CC=CC=C2)C(=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)CC(CCCC2=CC=CC=C2)C(=O)C(=O)OC

InChI

InChI=1S/C21H24O6S/c1-26-18-11-13-19(14-12-18)28(24,25)15-17(20(22)21(23)27-2)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-14,17H,6,9-10,15H2,1-2H3