methyl (E,10R,13S)-10,13-bis(oxidanyl)icos-11-enoate

Systemtic Name: methyl (E,10R,13S)-10,13-bis(oxidanyl)icos-11-enoate Openeye Name: methyl (E,10R,13S)-10,13-dihydroxyicos-11-enoate CAS Name: (E,10R,13S)-10,13-dihydroxy-11-eicosenoic acid methyl ester IUPAC Name: methyl (E,10R,13S)-10,13-dihydroxyicos-11-enoate Traditional Name: (E,10R,13S)-10,13-dihydroxyeicos-11-enoic acid methyl ester Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C=CC(CCCCCCCCC(=O)OC)O)O

Isomeric SMILES

CCCCCCC[C@@H](/C=C/[C@@H](CCCCCCCCC(=O)OC)O)O

InChI

InChI=1S/C21H40O4/c1-3-4-5-8-11-14-19(22)17-18-20(23)15-12-9-6-7-10-13-16-21(24)25-2/h17-20,22-23H,3-16H2,1-2H3/b18-17+/t19-,20+/m0/s1