2-(2-carboxyprop-2-enoxymethyl)-3-octadecyl-henicos-2-enoic acid

Systemtic Name: 2-(2-carboxyprop-2-enoxymethyl)-3-octadecyl-henicos-2-enoic acid Openeye Name: 2-(2-carboxyallyloxymethyl)-3-octadecyl-henicos-2-enoic acid CAS Name: 2-(2-carboxyprop-2-enoxymethyl)-3-octadecyl-2-heneicosenoic acid IUPAC Name: 2-(2-carboxyprop-2-enoxymethyl)-3-octadecylhenicos-2-enoic acid Traditional Name: 2-(2-carboxyallyloxymethyl)-3-stearyl-heneicos-2-enoic acid Formula: C44H82O5 MolecularWeight: 691.11888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=C(COCC(=C)C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=C(COCC(=C)C(=O)O)C(=O)O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H82O5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(42(44(47)48)39-49-38-40(3)43(45)46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h3-39H2,1-2H3,(H,45,46)(H,47,48)