methyl (12S)-12-oxidanylheptadec-13-ynoate

Systemtic Name: methyl (12S)-12-oxidanylheptadec-13-ynoate Openeye Name: methyl (12S)-12-hydroxyheptadec-13-ynoate CAS Name: (12S)-12-hydroxy-13-heptadecynoic acid methyl ester IUPAC Name: methyl (12S)-12-hydroxyheptadec-13-ynoate Traditional Name: (12S)-12-hydroxyheptadec-13-ynoic acid methyl ester Formula: C18H32O3 MolecularWeight: 296.44488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(CCCCCCCCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C18H32O3/c1-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21-2/h17,19H,3-10,12-13,15-16H2,1-2H3/t17-/m1/s1