(E)-2-[2,3-bis(oxidanyl)propanoyl]-12-oxidanyl-octadec-9-enoate

Systemtic Name: (E)-2-[2,3-bis(oxidanyl)propanoyl]-12-oxidanyl-octadec-9-enoate Openeye Name: (E)-2-(2,3-dihydroxypropanoyl)-12-hydroxy-octadec-9-enoate CAS Name: (E)-2-(2,3-dihydroxy-1-oxopropyl)-12-hydroxy-9-octadecenoate IUPAC Name: (E)-2-(2,3-dihydroxypropanoyl)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-2-glyceroyl-12-hydroxy-octadec-9-enoate Formula: C21H37O6- MolecularWeight: 385.51488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(=O)C(CO)O)C(=O)[O-])O

InChI

InChI=1S/C21H38O6/c1-2-3-4-10-13-17(23)14-11-8-6-5-7-9-12-15-18(21(26)27)20(25)19(24)16-22/h8,11,17-19,22-24H,2-7,9-10,12-16H2,1H3,(H,26,27)/p-1/b11-8+