3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanylidene-6-phenyl-hexanoic acid

Systemtic Name: 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxidanylidene-6-phenyl-hexanoic acid Openeye Name: 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxo-6-phenyl-hexanoic acid CAS Name: 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxo-6-phenylhexanoic acid IUPAC Name: 3-[(4-methoxyphenyl)sulfonylmethyl]-2-oxo-6-phenylhexanoic acid Traditional Name: 2-keto-3-[(4-methoxyphenyl)sulfonylmethyl]-6-phenyl-hexanoic acid Formula: C20H22O6S MolecularWeight: 390.45008

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22O6S/c1-26-17-10-12-18(13-11-17)27(24,25)14-16(19(21)20(22)23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,16H,5,8-9,14H2,1H3,(H,22,23)