methyl (E)-9,12,13-tris(oxidanyl)octadec-2-enoate

Systemtic Name: methyl (E)-9,12,13-tris(oxidanyl)octadec-2-enoate Openeye Name: methyl (E)-9,12,13-trihydroxyoctadec-2-enoate CAS Name: (E)-9,12,13-trihydroxy-2-octadecenoic acid methyl ester IUPAC Name: methyl (E)-9,12,13-trihydroxyoctadec-2-enoate Traditional Name: (E)-9,12,13-trihydroxyoctadec-2-enoic acid methyl ester Formula: C19H36O5 MolecularWeight: 344.48614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CCC(CCCCCC=CC(=O)OC)O)O)O

Isomeric SMILES

CCCCCC(C(CCC(CCCCC/C=C/C(=O)OC)O)O)O

InChI

InChI=1S/C19H36O5/c1-3-4-8-12-17(21)18(22)15-14-16(20)11-9-6-5-7-10-13-19(23)24-2/h10,13,16-18,20-22H,3-9,11-12,14-15H2,1-2H3/b13-10+