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

Systemtic Name: 7-[2-[2-(4-methylphenyl)-2-oxidanyl-propyl]sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[3-hydroxy-2-[2-hydroxy-2-(p-tolyl)propyl]sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[3-hydroxy-2-[[2-hydroxy-2-(4-methylphenyl)propyl]thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[3-hydroxy-2-[2-hydroxy-2-(4-methylphenyl)propyl]sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[3-hydroxy-2-[[2-hydroxy-2-(p-tolyl)propyl]thio]-5-keto-cyclopentyl]enanthic acid Formula: C22H32O5S MolecularWeight: 408.55148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O5S/c1-15-9-11-16(12-10-15)22(2,27)14-28-21-17(18(23)13-19(21)24)7-5-3-4-6-8-20(25)26/h9-12,17,19,21,24,27H,3-8,13-14H2,1-2H3,(H,25,26)