(3R,4S,5R)-3-hexadecanoyloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5R)-3-hexadecanoyloxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-3-hexadecanoyloxy-4,5-dihydroxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-4,5-dihydroxy-3-(1-oxohexadecoxy)-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-3-hexadecanoyloxy-4,5-dihydroxycyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-3-hexadecanoyloxy-4,5-dihydroxy-cyclohexene-1-carboxylic acid Formula: C23H40O6 MolecularWeight: 412.5601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1C=C(CC(C1O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1C=C(C[C@H]([C@@H]1O)O)C(=O)O

InChI

InChI=1S/C23H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)29-20-17-18(23(27)28)16-19(24)22(20)26/h17,19-20,22,24,26H,2-16H2,1H3,(H,27,28)/t19-,20-,22+/m1/s1