7-[2-heptylsulfanyl-5-(4-methylphenyl)sulfonyloxy-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-heptylsulfanyl-5-(4-methylphenyl)sulfonyloxy-cyclopentyl]heptanoic acid Openeye Name: 7-[2-heptylsulfanyl-5-(p-tolylsulfonyloxy)cyclopentyl]heptanoic acid CAS Name: 7-[2-(heptylthio)-5-(4-methylphenyl)sulfonyloxycyclopentyl]heptanoic acid IUPAC Name: 7-[2-heptylsulfanyl-5-(4-methylphenyl)sulfonyloxycyclopentyl]heptanoic acid Traditional Name: 7-[2-(heptylthio)-5-tosyloxy-cyclopentyl]enanthic acid Formula: C26H42O5S2 MolecularWeight: 498.73868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1CCC(C1CCCCCCC(=O)O)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCSC1CCC(C1CCCCCCC(=O)O)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C26H42O5S2/c1-3-4-5-8-11-20-32-25-19-18-24(23(25)12-9-6-7-10-13-26(27)28)31-33(29,30)22-16-14-21(2)15-17-22/h14-17,23-25H,3-13,18-20H2,1-2H3,(H,27,28)