2-[(1R,2S,3R)-3-methyl-2-(3-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 2-[(1R,2S,3R)-3-methyl-2-(3-methyl-3-oxidanyl-octyl)-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 2-[(1R,2S,3R)-2-(3-hydroxy-3-methyl-octyl)-3-methyl-5-oxo-cyclopentyl]heptanoic acid CAS Name: 2-[(1R,2S,3R)-2-(3-hydroxy-3-methyloctyl)-3-methyl-5-oxocyclopentyl]heptanoic acid IUPAC Name: 2-[(1R,2S,3R)-2-(3-hydroxy-3-methyloctyl)-3-methyl-5-oxocyclopentyl]heptanoic acid Traditional Name: 2-[(1R,2S,3R)-2-(3-hydroxy-3-methyl-octyl)-5-keto-3-methyl-cyclopentyl]enanthic acid Formula: C22H40O4 MolecularWeight: 368.5506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1C(C(CC1=O)C)CCC(C)(CCCCC)O)C(=O)O

Isomeric SMILES

CCCCCC([C@H]1[C@H]([C@@H](CC1=O)C)CCC(C)(CCCCC)O)C(=O)O

InChI

InChI=1S/C22H40O4/c1-5-7-9-11-18(21(24)25)20-17(16(3)15-19(20)23)12-14-22(4,26)13-10-8-6-2/h16-18,20,26H,5-15H2,1-4H3,(H,24,25)/t16-,17+,18?,20-,22?/m1/s1