5-hexyl-2-(18-oxidanyl-18-oxidanylidene-octadecyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 5-hexyl-2-(18-oxidanyl-18-oxidanylidene-octadecyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 5-hexyl-2-(18-hydroxy-18-oxo-octadecyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 5-hexyl-2-(18-hydroxy-18-oxooctadecyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 5-hexyl-2-(18-hydroxy-18-oxooctadecyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 5-hexyl-2-(18-hydroxy-18-keto-octadecyl)cyclohex-3-ene-1-carboxylic acid Formula: C31H56O4 MolecularWeight: 492.77394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(C(C=C1)CCCCCCCCCCCCCCCCCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCC1CC(C(C=C1)CCCCCCCCCCCCCCCCCC(=O)O)C(=O)O

InChI

InChI=1S/C31H56O4/c1-2-3-4-18-21-27-24-25-28(29(26-27)31(34)35)22-19-16-14-12-10-8-6-5-7-9-11-13-15-17-20-23-30(32)33/h24-25,27-29H,2-23,26H2,1H3,(H,32,33)(H,34,35)