4-oxidanylidene-2-(2-tetradecanoyloxyethyl)-4-triacontan-14-yloxy-butanoic acid

Systemtic Name: 4-oxidanylidene-2-(2-tetradecanoyloxyethyl)-4-triacontan-14-yloxy-butanoic acid Openeye Name: 4-oxo-2-(2-tetradecanoyloxyethyl)-4-(1-tridecylheptadecoxy)butanoic acid CAS Name: 4-oxo-2-[2-(1-oxotetradecoxy)ethyl]-4-triacontan-14-yloxybutanoic acid IUPAC Name: 4-oxo-2-(2-tetradecanoyloxyethyl)-4-triacontan-14-yloxybutanoic acid Traditional Name: 4-keto-2-(2-tetradecanoyloxyethyl)-4-(1-tridecylheptadecoxy)butyric acid Formula: C50H96O6 MolecularWeight: 793.29364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)OC(=O)CC(CCOC(=O)CCCCCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCC)OC(=O)CC(CCOC(=O)CCCCCCCCCCCCC)C(=O)O

InChI

InChI=1S/C50H96O6/c1-4-7-10-13-16-19-22-23-24-27-29-32-35-38-41-47(40-37-34-31-28-25-20-17-14-11-8-5-2)56-49(52)45-46(50(53)54)43-44-55-48(51)42-39-36-33-30-26-21-18-15-12-9-6-3/h46-47H,4-45H2,1-3H3,(H,53,54)