7-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(4-methylsulfonylphenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-keto-5-[(E)-2-(4-mesylphenyl)vinyl]cyclopentyl]enanthic acid Formula: C21H28O5S MolecularWeight: 392.50902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C=CC2CCC(=O)C2CCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C=C/C2CCC(=O)C2CCCCCCC(=O)O

InChI

InChI=1S/C21H28O5S/c1-27(25,26)18-13-9-16(10-14-18)8-11-17-12-15-20(22)19(17)6-4-2-3-5-7-21(23)24/h8-11,13-14,17,19H,2-7,12,15H2,1H3,(H,23,24)/b11-8+