(E)-19-[2,3-bis(oxidanyl)propoxycarbonyl]pentatriacont-9-enoic acid

Systemtic Name: (E)-19-[2,3-bis(oxidanyl)propoxycarbonyl]pentatriacont-9-enoic acid Openeye Name: (E)-19-(2,3-dihydroxypropoxycarbonyl)pentatriacont-9-enoic acid CAS Name: (E)-19-[2,3-dihydroxypropoxy(oxo)methyl]-9-pentatriacontenoic acid IUPAC Name: (E)-19-(2,3-dihydroxypropoxycarbonyl)pentatriacont-9-enoic acid Traditional Name: (E)-19-glyceryloxycarbonylpentatriacont-9-enoic acid Formula: C39H74O6 MolecularWeight: 639.00126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCC=CCCCCCCCC(=O)O)C(=O)OCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCC/C=C/CCCCCCCC(=O)O)C(=O)OCC(CO)O

InChI

InChI=1S/C39H74O6/c1-2-3-4-5-6-7-8-9-13-16-19-22-25-28-31-36(39(44)45-35-37(41)34-40)32-29-26-23-20-17-14-11-10-12-15-18-21-24-27-30-33-38(42)43/h10,12,36-37,40-41H,2-9,11,13-35H2,1H3,(H,42,43)/b12-10+