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

Systemtic Name: 7-[2-(2-methyl-2-oxidanyl-3-phenyl-propyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-2-methyl-3-phenyl-propyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-2-methyl-3-phenylpropyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-2-methyl-3-phenylpropyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-2-methyl-3-phenyl-propyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C22H32O4S MolecularWeight: 392.55208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O4S/c1-22(26,15-17-9-5-4-6-10-17)16-27-20-14-13-19(23)18(20)11-7-2-3-8-12-21(24)25/h4-6,9-10,18,20,26H,2-3,7-8,11-16H2,1H3,(H,24,25)