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

Systemtic Name: 7-[2-[2-(4-methylphenyl)-2-oxidanyl-propyl]sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[2-hydroxy-2-(p-tolyl)propyl]sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[[2-hydroxy-2-(4-methylphenyl)propyl]thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[2-hydroxy-2-(4-methylphenyl)propyl]sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[[2-hydroxy-2-(p-tolyl)propyl]thio]-5-keto-cyclopentyl]enanthic acid Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O4S/c1-16-9-11-17(12-10-16)22(2,26)15-27-20-14-13-19(23)18(20)7-5-3-4-6-8-21(24)25/h9-12,18,20,26H,3-8,13-15H2,1-2H3,(H,24,25)