ethyl (2S,3R)-2,3-bis(oxidanyl)octadec-7-ynoate

Systemtic Name: ethyl (2S,3R)-2,3-bis(oxidanyl)octadec-7-ynoate Openeye Name: ethyl (2S,3R)-2,3-dihydroxyoctadec-7-ynoate CAS Name: (2S,3R)-2,3-dihydroxy-7-octadecynoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2,3-dihydroxyoctadec-7-ynoate Traditional Name: (2S,3R)-2,3-dihydroxyoctadec-7-ynoic acid ethyl ester Formula: C20H36O4 MolecularWeight: 340.49744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCCCC(C(C(=O)OCC)O)O

Isomeric SMILES

CCCCCCCCCCC#CCCC[C@H]([C@@H](C(=O)OCC)O)O

InChI

InChI=1S/C20H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19(22)20(23)24-4-2/h18-19,21-22H,3-12,15-17H2,1-2H3/t18-,19+/m1/s1