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

Systemtic Name: 7-[2-(3,3-dimethyl-2-oxidanyl-5-phenyl-pentyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-3,3-dimethyl-5-phenyl-pentyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-3,3-dimethyl-5-phenylpentyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-3,3-dimethyl-5-phenylpentyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-5-phenyl-pentyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C25H38O4S MolecularWeight: 434.63182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC=CC=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(CCC1=CC=CC=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C25H38O4S/c1-25(2,17-16-19-10-6-5-7-11-19)23(27)18-30-22-15-14-21(26)20(22)12-8-3-4-9-13-24(28)29/h5-7,10-11,20,22-23,27H,3-4,8-9,12-18H2,1-2H3,(H,28,29)