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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1CCC(=O)C1CCCCCCC(=O)O)(C2=CC=CC=C2)O

Isomeric SMILES

CC(CSC1CCC(=O)C1CCCCCCC(=O)O)(C2=CC=CC=C2)O

InChI

InChI=1S/C21H30O4S/c1-21(25,16-9-5-4-6-10-16)15-26-19-14-13-18(22)17(19)11-7-2-3-8-12-20(23)24/h4-6,9-10,17,19,25H,2-3,7-8,11-15H2,1H3,(H,23,24)