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

Systemtic Name: (E)-2-[2,3-bis(oxidanyl)propanoyl]-2,3,3-triethanoyl-12-oxidanyl-octadec-9-enoate Openeye Name: (E)-2,3,3-triacetyl-2-(2,3-dihydroxypropanoyl)-12-hydroxy-octadec-9-enoate CAS Name: (E)-2,3,3-triacetyl-2-(2,3-dihydroxy-1-oxopropyl)-12-hydroxy-9-octadecenoate IUPAC Name: (E)-2,3,3-triacetyl-2-(2,3-dihydroxypropanoyl)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-2,3,3-triacetyl-2-glyceroyl-12-hydroxy-octadec-9-enoate Formula: C27H43O9- MolecularWeight: 511.62492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44O9/c1-5-6-7-12-15-22(32)16-13-10-8-9-11-14-17-26(19(2)29,20(3)30)27(21(4)31,25(35)36)24(34)23(33)18-28/h10,13,22-23,28,32-33H,5-9,11-12,14-18H2,1-4H3,(H,35,36)/p-1/b13-10+