methyl (5S,6R,7E,9E,11E,13E)-5,6-bis(oxidanyl)icosa-7,9,11,13-tetraenoate

Systemtic Name: methyl (5S,6R,7E,9E,11E,13E)-5,6-bis(oxidanyl)icosa-7,9,11,13-tetraenoate Openeye Name: methyl (5S,6R,7E,9E,11E,13E)-5,6-dihydroxyicosa-7,9,11,13-tetraenoate CAS Name: (5S,6R,7E,9E,11E,13E)-5,6-dihydroxyeicosa-7,9,11,13-tetraenoic acid methyl ester IUPAC Name: methyl (5S,6R,7E,9E,11E,13E)-5,6-dihydroxyicosa-7,9,11,13-tetraenoate Traditional Name: (5S,6R,7E,9E,11E,13E)-5,6-dihydroxyeicosa-7,9,11,13-tetraenoic acid methyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC=CC=CC=CC(C(CCCC(=O)OC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)20(23)17-15-18-21(24)25-2/h8-14,16,19-20,22-23H,3-7,15,17-18H2,1-2H3/b9-8+,11-10+,13-12+,16-14+/t19-,20+/m1/s1