(1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxidanylidene-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxidanylidene-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxo-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-oxooctyl]-2-hexylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,2R,5S)-5-[8-[(2S)-2-ethylhexoxy]-8-keto-octyl]-2-hexyl-cyclohex-3-ene-1-carboxylic acid Formula: C29H52O4 MolecularWeight: 464.72078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCC[C@@H]1C=C[C@H](C[C@@H]1C(=O)O)CCCCCCCC(=O)OC[C@@H](CC)CCCC

InChI

InChI=1S/C29H52O4/c1-4-7-9-14-18-26-21-20-25(22-27(26)29(31)32)17-13-11-10-12-15-19-28(30)33-23-24(6-3)16-8-5-2/h20-21,24-27H,4-19,22-23H2,1-3H3,(H,31,32)/t24-,25+,26+,27-/m0/s1