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methyl (8E,10E,14Z)-5,12-bis(oxidanyl)icosa-8,10,14-trien-6-ynoate

methyl (8E,10E,14Z)-5,12-bis(oxidanyl)icosa-8,10,14-trien-6-ynoate

Systemtic Name:methyl (8E,10E,14Z)-5,12-bis(oxidanyl)icosa-8,10,14-trien-6-ynoate
Openeye Name:methyl (8E,10E,14Z)-5,12-dihydroxyicosa-8,10,14-trien-6-ynoate
CAS Name:(8E,10E,14Z)-5,12-dihydroxyeicosa-8,10,14-trien-6-ynoic acid methyl ester
IUPAC Name:methyl (8E,10E,14Z)-5,12-dihydroxyicosa-8,10,14-trien-6-ynoate
Traditional Name:(8E,10E,14Z)-5,12-dihydroxyeicosa-8,10,14-trien-6-ynoic acid methyl ester
Formula: C21H32O4
MolecularWeight: 352.446999
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CCCCC/C=C\CC(/[13CH]=[13CH]/C=C/[13C]#[13C]C(CCCC(=O)OC)O)O


InChI

InChI=1S/C21H32O4/c1-3-4-5-6-7-10-14-19(22)15-11-8-9-12-16-20(23)17-13-18-21(24)25-2/h7-11,15,19-20,22-23H,3-6,13-14,17-18H2,1-2H3/b9-8+,10-7-,15-11+/i11+1,12+1,15+1,16+1


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