methyl (15S,16S)-15,16-bis(oxidanyl)octadeca-6,9,12-triynoate

Systemtic Name: methyl (15S,16S)-15,16-bis(oxidanyl)octadeca-6,9,12-triynoate Openeye Name: methyl (15S,16S)-15,16-dihydroxyoctadeca-6,9,12-triynoate CAS Name: (15S,16S)-15,16-dihydroxyoctadeca-6,9,12-triynoic acid methyl ester IUPAC Name: methyl (15S,16S)-15,16-dihydroxyoctadeca-6,9,12-triynoate Traditional Name: (15S,16S)-15,16-dihydroxyoctadeca-6,9,12-triynoic acid methyl ester Formula: C19H26O4 MolecularWeight: 318.40734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26O4/c1-3-17(20)18(21)15-13-11-9-7-5-4-6-8-10-12-14-16-19(22)23-2/h17-18,20-21H,3-4,9-10,12,14-16H2,1-2H3/t17-,18-/m0/s1