4-oxidanylidene-4-phenylmethoxy-2,3-di(tetradecanoyloxy)butanoic acid

Systemtic Name: 4-oxidanylidene-4-phenylmethoxy-2,3-di(tetradecanoyloxy)butanoic acid Openeye Name: 4-benzyloxy-4-oxo-2,3-di(tetradecanoyloxy)butanoic acid CAS Name: 4-oxo-2,3-bis(1-oxotetradecoxy)-4-phenylmethoxybutanoic acid IUPAC Name: 4-oxo-4-phenylmethoxy-2,3-di(tetradecanoyloxy)butanoic acid Traditional Name: 4-benzoxy-4-keto-2,3-di(tetradecanoyloxy)butyric acid Formula: C39H64O8 MolecularWeight: 660.92066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OC(C(C(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OC(C(C(=O)OCC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C39H64O8/c1-3-5-7-9-11-13-15-17-19-21-26-30-34(40)46-36(38(42)43)37(39(44)45-32-33-28-24-23-25-29-33)47-35(41)31-27-22-20-18-16-14-12-10-8-6-4-2/h23-25,28-29,36-37H,3-22,26-27,30-32H2,1-2H3,(H,42,43)