4-oxidanylidene-3-tetradecanoyloxy-4-[(E)-tetratriacont-25-en-16-yl]oxy-butanoic acid

Systemtic Name: 4-oxidanylidene-3-tetradecanoyloxy-4-[(E)-tetratriacont-25-en-16-yl]oxy-butanoic acid Openeye Name: 4-oxo-4-[(E)-1-pentadecylnonadec-10-enoxy]-3-tetradecanoyloxy-butanoic acid CAS Name: 4-oxo-3-(1-oxotetradecoxy)-4-[(E)-tetratriacont-25-en-16-yl]oxybutanoic acid IUPAC Name: 4-oxo-3-tetradecanoyloxy-4-[(E)-tetratriacont-25-en-16-yl]oxybutanoic acid Traditional Name: 4-keto-4-[(E)-1-pentadecylnonadec-10-enoxy]-3-tetradecanoyloxy-butyric acid Formula: C52H98O6 MolecularWeight: 819.33092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)OC(=O)C(CC(=O)O)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCCCCCC/C=C/CCCCCCCC)OC(=O)C(CC(=O)O)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-24-25-26-28-31-33-36-39-42-45-48(44-41-38-35-32-30-27-23-20-17-14-11-8-5-2)57-52(56)49(47-50(53)54)58-51(55)46-43-40-37-34-29-21-18-15-12-9-6-3/h24-25,48-49H,4-23,26-47H2,1-3H3,(H,53,54)/b25-24+