methyl (5Z,8Z,10R,11S,12R,14Z)-10,11,12-tris(oxidanyl)icosa-5,8,14-trienoate

Systemtic Name: methyl (5Z,8Z,10R,11S,12R,14Z)-10,11,12-tris(oxidanyl)icosa-5,8,14-trienoate Openeye Name: methyl (5Z,8Z,10R,11S,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoate CAS Name: (5Z,8Z,10R,11S,12R,14Z)-10,11,12-trihydroxyeicosa-5,8,14-trienoic acid methyl ester IUPAC Name: methyl (5Z,8Z,10R,11S,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoate Traditional Name: (5Z,8Z,10R,11S,12R,14Z)-10,11,12-trihydroxyeicosa-5,8,14-trienoic acid methyl ester Formula: C21H36O5 MolecularWeight: 368.50754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC/C=C\C[C@H]([C@@H]([C@@H](/C=C\C/C=C\CCCC(=O)OC)O)O)O

InChI

InChI=1S/C21H36O5/c1-3-4-5-6-9-12-15-18(22)21(25)19(23)16-13-10-7-8-11-14-17-20(24)26-2/h7-9,12-13,16,18-19,21-23,25H,3-6,10-11,14-15,17H2,1-2H3/b8-7-,12-9-,16-13-/t18-,19-,21+/m1/s1