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

Systemtic Name: 2-[(1S,2S,3R,5R)-3-methyl-5-oxidanyl-2-(3-oxidanylideneoctyl)cyclopentyl]heptanoic acid Openeye Name: 2-[(1S,2S,3R,5R)-5-hydroxy-3-methyl-2-(3-oxooctyl)cyclopentyl]heptanoic acid CAS Name: 2-[(1S,2S,3R,5R)-5-hydroxy-3-methyl-2-(3-oxooctyl)cyclopentyl]heptanoic acid IUPAC Name: 2-[(1S,2S,3R,5R)-5-hydroxy-3-methyl-2-(3-oxooctyl)cyclopentyl]heptanoic acid Traditional Name: 2-[(1S,2S,3R,5R)-5-hydroxy-2-(3-ketooctyl)-3-methyl-cyclopentyl]enanthic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1C(CC(C1CCC(=O)CCCCC)C)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H38O4/c1-4-6-8-10-16(22)12-13-17-15(3)14-19(23)20(17)18(21(24)25)11-9-7-5-2/h15,17-20,23H,4-14H2,1-3H3,(H,24,25)/t15-,17+,18?,19-,20+/m1/s1