(1R,6S)-6-(1-hydroxyethyl)-2-(7-oxidanyl-7-oxidanylidene-heptyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-(1-hydroxyethyl)-2-(7-oxidanyl-7-oxidanylidene-heptyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-(1-hydroxyethyl)-2-(7-hydroxy-7-oxo-heptyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-(1-hydroxyethyl)-2-(7-hydroxy-7-oxoheptyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-(1-hydroxyethyl)-2-(7-hydroxy-7-oxoheptyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-(1-hydroxyethyl)-2-(7-hydroxy-7-keto-heptyl)cyclohex-3-ene-1-carboxylic acid Formula: C16H26O5 MolecularWeight: 298.37464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC=CC(C1C(=O)O)CCCCCCC(=O)O)O

Isomeric SMILES

CC([C@H]1CC=CC([C@H]1C(=O)O)CCCCCCC(=O)O)O

InChI

InChI=1S/C16H26O5/c1-11(17)13-9-6-8-12(15(13)16(20)21)7-4-2-3-5-10-14(18)19/h6,8,11-13,15,17H,2-5,7,9-10H2,1H3,(H,18,19)(H,20,21)/t11?,12?,13-,15-/m1/s1