(5S,6Z,8E,10E,12S)-12-methyl-5,12-bis(oxidanyl)icosa-6,8,10-trienoic acid

Systemtic Name: (5S,6Z,8E,10E,12S)-12-methyl-5,12-bis(oxidanyl)icosa-6,8,10-trienoic acid Openeye Name: (5S,6Z,8E,10E,12S)-5,12-dihydroxy-12-methyl-icosa-6,8,10-trienoic acid CAS Name: (5S,6Z,8E,10E,12S)-5,12-dihydroxy-12-methyleicosa-6,8,10-trienoic acid IUPAC Name: (5S,6Z,8E,10E,12S)-5,12-dihydroxy-12-methylicosa-6,8,10-trienoic acid Traditional Name: (5S,6Z,8E,10E,12S)-5,12-dihydroxy-12-methyl-eicosa-6,8,10-trienoic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)(C=CC=CC=CC(CCCC(=O)O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4/c1-3-4-5-6-8-11-17-21(2,25)18-12-9-7-10-14-19(22)15-13-16-20(23)24/h7,9-10,12,14,18-19,22,25H,3-6,8,11,13,15-17H2,1-2H3,(H,23,24)/b9-7+,14-10-,18-12+/t19-,21+/m1/s1