7-[2-(3,3-dimethyl-2-oxidanyl-6-phenyl-hexyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-(3,3-dimethyl-2-oxidanyl-6-phenyl-hexyl)sulfanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-(2-hydroxy-3,3-dimethyl-6-phenyl-hexyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(2-hydroxy-3,3-dimethyl-6-phenylhexyl)thio]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-(2-hydroxy-3,3-dimethyl-6-phenylhexyl)sulfanyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(2-hydroxy-3,3-dimethyl-6-phenyl-hexyl)thio]-5-keto-cyclopentyl]enanthic acid Formula: C26H40O4S MolecularWeight: 448.6584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC=CC=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

Isomeric SMILES

CC(C)(CCCC1=CC=CC=C1)C(CSC2CCC(=O)C2CCCCCCC(=O)O)O

InChI

InChI=1S/C26H40O4S/c1-26(2,18-10-13-20-11-6-5-7-12-20)24(28)19-31-23-17-16-22(27)21(23)14-8-3-4-9-15-25(29)30/h5-7,11-12,21,23-24,28H,3-4,8-10,13-19H2,1-2H3,(H,29,30)