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

Systemtic Name: 7-[2-oxidanylidene-5-(2-oxidanyl-3-phenyl-propyl)sulfanyl-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-3-phenyl-propyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-3-phenylpropyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-3-phenylpropyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-3-phenyl-propyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1SCC(CC2=CC=CC=C2)O)CCCCCCC(=O)O

Isomeric SMILES

C1CC(=O)C(C1SCC(CC2=CC=CC=C2)O)CCCCCCC(=O)O

InChI

InChI=1S/C21H30O4S/c22-17(14-16-8-4-3-5-9-16)15-26-20-13-12-19(23)18(20)10-6-1-2-7-11-21(24)25/h3-5,8-9,17-18,20,22H,1-2,6-7,10-15H2,(H,24,25)