[(3R,9S,10S)-10-methoxy-9-oxidanyl-heptadec-1-en-4,6-diyn-3-yl] ethanoate

Systemtic Name: [(3R,9S,10S)-10-methoxy-9-oxidanyl-heptadec-1-en-4,6-diyn-3-yl] ethanoate Openeye Name: [(1R,7S,8S)-7-hydroxy-8-methoxy-1-vinyl-pentadeca-2,4-diynyl] acetate CAS Name: acetic acid [(3R,9S,10S)-9-hydroxy-10-methoxyheptadec-1-en-4,6-diyn-3-yl] ester IUPAC Name: [(3R,9S,10S)-9-hydroxy-10-methoxyheptadec-1-en-4,6-diyn-3-yl] acetate Traditional Name: acetic acid [(1R,7S,8S)-7-hydroxy-8-methoxy-1-vinyl-pentadeca-2,4-diynyl] ester Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CC#CC#CC(C=C)OC(=O)C)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H30O4/c1-5-7-8-9-13-16-20(23-4)19(22)15-12-10-11-14-18(6-2)24-17(3)21/h6,18-20,22H,2,5,7-9,13,15-16H2,1,3-4H3/t18-,19+,20+/m1/s1