4-octadecoxy-3-oxidanyl-5-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 4-octadecoxy-3-oxidanyl-5-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 3-hydroxy-4-octadecoxy-5-oxo-cyclohexanecarboxylic acid CAS Name: 3-hydroxy-4-octadecoxy-5-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 3-hydroxy-4-octadecoxy-5-oxocyclohexane-1-carboxylic acid Traditional Name: 3-hydroxy-5-keto-4-stearyloxy-cyclohexanecarboxylic acid Formula: C25H46O5 MolecularWeight: 426.62974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1C(CC(CC1=O)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1C(CC(CC1=O)C(=O)O)O

InChI

InChI=1S/C25H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-24-22(26)19-21(25(28)29)20-23(24)27/h21-22,24,26H,2-20H2,1H3,(H,28,29)