(1R,2R,5R)-2-hexyl-5-(8-oxidanylidene-8-pentoxy-octyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,2R,5R)-2-hexyl-5-(8-oxidanylidene-8-pentoxy-octyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,2R,5R)-2-hexyl-5-(8-oxo-8-pentoxy-octyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,2R,5R)-2-hexyl-5-(8-oxo-8-pentoxyoctyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,2R,5R)-2-hexyl-5-(8-oxo-8-pentoxyoctyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,2R,5R)-5-(8-amoxy-8-keto-octyl)-2-hexyl-cyclohex-3-ene-1-carboxylic acid Formula: C26H46O4 MolecularWeight: 422.64104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)OCCCCC

Isomeric SMILES

CCCCCC[C@@H]1C=C[C@@H](C[C@H]1C(=O)O)CCCCCCCC(=O)OCCCCC

InChI

InChI=1S/C26H46O4/c1-3-5-7-12-16-23-19-18-22(21-24(23)26(28)29)15-11-9-8-10-13-17-25(27)30-20-14-6-4-2/h18-19,22-24H,3-17,20-21H2,1-2H3,(H,28,29)/t22-,23+,24+/m0/s1