[(3R,9R,10R)-9,10-bis(oxidanyl)heptadec-1-en-4,6-diyn-3-yl] ethanoate

Systemtic Name: [(3R,9R,10R)-9,10-bis(oxidanyl)heptadec-1-en-4,6-diyn-3-yl] ethanoate Openeye Name: [(1R,7R,8R)-7,8-dihydroxy-1-vinyl-pentadeca-2,4-diynyl] acetate CAS Name: acetic acid [(3R,9R,10R)-9,10-dihydroxyheptadec-1-en-4,6-diyn-3-yl] ester IUPAC Name: [(3R,9R,10R)-9,10-dihydroxyheptadec-1-en-4,6-diyn-3-yl] acetate Traditional Name: acetic acid [(1R,7R,8R)-7,8-dihydroxy-1-vinyl-pentadeca-2,4-diynyl] ester Formula: C19H28O4 MolecularWeight: 320.42322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC[C@H]([C@@H](CC#CC#C[C@@H](C=C)OC(=O)C)O)O

InChI

InChI=1S/C19H28O4/c1-4-6-7-8-11-14-18(21)19(22)15-12-9-10-13-17(5-2)23-16(3)20/h5,17-19,21-22H,2,4,6-8,11,14-15H2,1,3H3/t17-,18-,19-/m1/s1