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ethyl (11S,12S)-11,12-bis(oxidanyl)icosa-5,8,14-triynoate

ethyl (11S,12S)-11,12-bis(oxidanyl)icosa-5,8,14-triynoate

Systemtic Name:ethyl (11S,12S)-11,12-bis(oxidanyl)icosa-5,8,14-triynoate
Openeye Name:ethyl (11S,12S)-11,12-dihydroxyicosa-5,8,14-triynoate
CAS Name:(11S,12S)-11,12-dihydroxyeicosa-5,8,14-triynoic acid ethyl ester
IUPAC Name:ethyl (11S,12S)-11,12-dihydroxyicosa-5,8,14-triynoate
Traditional Name:(11S,12S)-11,12-dihydroxyeicosa-5,8,14-triynoic acid ethyl ester
Formula: C22H32O4
MolecularWeight: 360.48708
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CCC(C(CC#CCC#CCCCC(=O)OCC)O)O


Isomeric SMILES

CCCCCC#CC[C@@H]([C@H](CC#CCC#CCCCC(=O)OCC)O)O


InChI

InChI=1S/C22H32O4/c1-3-5-6-7-11-14-17-20(23)21(24)18-15-12-9-8-10-13-16-19-22(25)26-4-2/h20-21,23-24H,3-7,9,13,16-19H2,1-2H3/t20-,21-/m0/s1


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