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

Systemtic Name: (E)-19-[2,3-bis(oxidanyl)propoxycarbonyl]nonacos-9-enoic acid Openeye Name: (E)-19-(2,3-dihydroxypropoxycarbonyl)nonacos-9-enoic acid CAS Name: (E)-19-[2,3-dihydroxypropoxy(oxo)methyl]-9-nonacosenoic acid IUPAC Name: (E)-19-(2,3-dihydroxypropoxycarbonyl)nonacos-9-enoic acid Traditional Name: (E)-19-glyceryloxycarbonylnonacos-9-enoic acid Formula: C33H62O6 MolecularWeight: 554.84178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H62O6/c1-2-3-4-5-6-16-19-22-25-30(33(38)39-29-31(35)28-34)26-23-20-17-14-12-10-8-7-9-11-13-15-18-21-24-27-32(36)37/h7,9,30-31,34-35H,2-6,8,10-29H2,1H3,(H,36,37)/b9-7+