2-(4-methylsulfonylphenyl)-3-[3-(oxan-2-yloxy)cyclopentyl]propanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-[3-(oxan-2-yloxy)cyclopentyl]propanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-3-(3-tetrahydropyran-2-yloxycyclopentyl)propanoic acid CAS Name: 2-(4-methylsulfonylphenyl)-3-[3-(2-oxanyloxy)cyclopentyl]propanoic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-3-[3-(oxan-2-yloxy)cyclopentyl]propanoic acid Traditional Name: 2-(4-mesylphenyl)-3-(3-tetrahydropyran-2-yloxycyclopentyl)propionic acid Formula: C20H28O6S MolecularWeight: 396.49772

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCC(C2)OC3CCCCO3)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCC(C2)OC3CCCCO3)C(=O)O

InChI

InChI=1S/C20H28O6S/c1-27(23,24)17-9-6-15(7-10-17)18(20(21)22)13-14-5-8-16(12-14)26-19-4-2-3-11-25-19/h6-7,9-10,14,16,18-19H,2-5,8,11-13H2,1H3,(H,21,22)