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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCCCCCCCCCCCC(=O)O

InChI

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