2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hexyl-5-(8-hydroxy-8-oxo-octyl)cyclohex-3-ene-1-carboxylic acid CAS Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hexyl-5-(8-hydroxy-8-oxooctyl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-hexyl-5-(8-hydroxy-8-oxooctyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 2-ethyl-2-methylol-propane-1,3-diol; 2-hexyl-5-(8-hydroxy-8-keto-octyl)cyclohex-3-ene-1-carboxylic acid Formula: C27H50O7 MolecularWeight: 486.6817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.CCC(CO)(CO)CO

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.CCC(CO)(CO)CO

InChI

InChI=1S/C21H36O4.C6H14O3/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;1-2-6(3-7,4-8)5-9/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);7-9H,2-5H2,1H3