[(E,6S,7R,9R)-9-methyl-7-(oxan-2-yloxy)-1-oxidanyl-dodec-4-en-11-yn-6-yl] ethanoate

Systemtic Name: [(E,6S,7R,9R)-9-methyl-7-(oxan-2-yloxy)-1-oxidanyl-dodec-4-en-11-yn-6-yl] ethanoate Openeye Name: [(1S,2R,4R)-1-[(E)-5-hydroxypent-1-enyl]-4-methyl-2-tetrahydropyran-2-yloxy-hept-6-ynyl] acetate CAS Name: acetic acid [(E,6S,7R,9R)-1-hydroxy-9-methyl-7-(2-oxanyloxy)dodec-4-en-11-yn-6-yl] ester IUPAC Name: [(E,6S,7R,9R)-1-hydroxy-9-methyl-7-(oxan-2-yloxy)dodec-4-en-11-yn-6-yl] acetate Traditional Name: acetic acid [(1S,2R,4R)-1-[(E)-5-hydroxypent-1-enyl]-4-methyl-2-tetrahydropyran-2-yloxy-hept-6-ynyl] ester Formula: C20H32O5 MolecularWeight: 352.46508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC#C)CC(C(C=CCCCO)OC(=O)C)OC1CCCCO1

Isomeric SMILES

C[C@H](CC#C)C[C@H]([C@H](/C=C/CCCO)OC(=O)C)OC1CCCCO1

InChI

InChI=1S/C20H32O5/c1-4-10-16(2)15-19(25-20-12-7-9-14-23-20)18(24-17(3)22)11-6-5-8-13-21/h1,6,11,16,18-21H,5,7-10,12-15H2,2-3H3/b11-6+/t16-,18+,19-,20?/m1/s1