methyl (17S)-17-oxidanyloctadeca-9,12,15-triynoate

Systemtic Name: methyl (17S)-17-oxidanyloctadeca-9,12,15-triynoate Openeye Name: methyl (17S)-17-hydroxyoctadeca-9,12,15-triynoate CAS Name: (17S)-17-hydroxyoctadeca-9,12,15-triynoic acid methyl ester IUPAC Name: methyl (17S)-17-hydroxyoctadeca-9,12,15-triynoate Traditional Name: (17S)-17-hydroxyoctadeca-9,12,15-triynoic acid methyl ester Formula: C19H26O3 MolecularWeight: 302.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CCC#CCC#CCCCCCCCC(=O)OC)O

Isomeric SMILES

C[C@@H](C#CCC#CCC#CCCCCCCCC(=O)OC)O

InChI

InChI=1S/C19H26O3/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22-2/h18,20H,5-7,9,11-13,15,17H2,1-2H3/t18-/m0/s1