7-[2-[2-(4-methylphenyl)-2-oxidanyl-ethyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[2-(4-methylphenyl)-2-oxidanyl-ethyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[2-hydroxy-2-(p-tolyl)ethyl]sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[[2-hydroxy-2-(p-tolyl)ethyl]thio]-5-keto-cyclopentyl]enanthic acid Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C21H30O4S/c1-15-8-10-16(11-9-15)19(23)14-26-20-13-12-18(22)17(20)6-4-2-3-5-7-21(24)25/h8-11,17,19-20,23H,2-7,12-14H2,1H3,(H,24,25)