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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32O5S/c1-22(27,14-16-9-5-4-6-10-16)15-28-21-17(18(23)13-19(21)24)11-7-2-3-8-12-20(25)26/h4-6,9-10,17,19,21,24,27H,2-3,7-8,11-15H2,1H3,(H,25,26)