(E)-2,2,3-tris[2,3-bis(oxidanyl)propyl]octadec-9-enoate

Systemtic Name: (E)-2,2,3-tris[2,3-bis(oxidanyl)propyl]octadec-9-enoate Openeye Name: (E)-2,2,3-tris(2,3-dihydroxypropyl)octadec-9-enoate CAS Name: (E)-2,2,3-tris(2,3-dihydroxypropyl)-9-octadecenoate IUPAC Name: (E)-2,2,3-tris(2,3-dihydroxypropyl)octadec-9-enoate Traditional Name: (E)-2,2,3-triglyceryloctadec-9-enoate Formula: C27H51O8- MolecularWeight: 503.68904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCC(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCC(CC(CO)O)C(CC(CO)O)(CC(CO)O)C(=O)[O-]

InChI

InChI=1S/C27H52O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(16-23(31)19-28)27(26(34)35,17-24(32)20-29)18-25(33)21-30/h9-10,22-25,28-33H,2-8,11-21H2,1H3,(H,34,35)/p-1/b10-9+