7-[2-[2-(4-methylphenyl)-2-oxidanyl-ethyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[2-(4-methylphenyl)-2-oxidanyl-ethyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[3-hydroxy-2-[2-hydroxy-2-(p-tolyl)ethyl]sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[3-hydroxy-2-[[2-hydroxy-2-(4-methylphenyl)ethyl]thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[3-hydroxy-2-[2-hydroxy-2-(4-methylphenyl)ethyl]sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[3-hydroxy-2-[[2-hydroxy-2-(p-tolyl)ethyl]thio]-5-keto-cyclopentyl]enanthic acid Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CSC2C(CC(=O)C2CCCCCCC(=O)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CSC2C(CC(=O)C2CCCCCCC(=O)O)O)O

InChI

InChI=1S/C21H30O5S/c1-14-8-10-15(11-9-14)19(24)13-27-21-16(17(22)12-18(21)23)6-4-2-3-5-7-20(25)26/h8-11,16,18-19,21,23-24H,2-7,12-13H2,1H3,(H,25,26)