8-[(1R,2R,5S)-2-(2-carboxyethyl)-5-oxidanyl-3-oxidanylidene-cyclopentyl]-6-oxidanylidene-octanoic acid

Systemtic Name: 8-[(1R,2R,5S)-2-(2-carboxyethyl)-5-oxidanyl-3-oxidanylidene-cyclopentyl]-6-oxidanylidene-octanoic acid Openeye Name: 8-[(1R,2R,5S)-2-(2-carboxyethyl)-5-hydroxy-3-oxo-cyclopentyl]-6-oxo-octanoic acid CAS Name: 8-[(1R,2R,5S)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid IUPAC Name: 8-[(1R,2R,5S)-2-(2-carboxyethyl)-5-hydroxy-3-oxocyclopentyl]-6-oxooctanoic acid Traditional Name: 8-[(1R,2R,5S)-2-(2-carboxyethyl)-5-hydroxy-3-keto-cyclopentyl]-6-keto-caprylic acid Formula: C16H24O7 MolecularWeight: 328.35756

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1=O)CCC(=O)O)CCC(=O)CCCCC(=O)O)O

Isomeric SMILES

C1[C@@H]([C@@H]([C@H](C1=O)CCC(=O)O)CCC(=O)CCCCC(=O)O)O

InChI

InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-13,18H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13+/m1/s1