[(Z)-3-methyl-1-oxidanyl-dodec-2-en-4-yn-6-yl] benzoate

Systemtic Name: [(Z)-3-methyl-1-oxidanyl-dodec-2-en-4-yn-6-yl] benzoate Openeye Name: 1-[(Z)-5-hydroxy-3-methyl-pent-3-en-1-ynyl]heptyl benzoate CAS Name: benzoic acid [(Z)-1-hydroxy-3-methyldodec-2-en-4-yn-6-yl] ester IUPAC Name: [(Z)-1-hydroxy-3-methyldodec-2-en-4-yn-6-yl] benzoate Traditional Name: benzoic acid [(Z)-1-hexyl-6-hydroxy-4-methyl-hex-4-en-2-ynyl] ester Formula: C20H26O3 MolecularWeight: 314.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C#CC(=CCO)C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC(C#C/C(=C\CO)/C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H26O3/c1-3-4-5-9-12-19(14-13-17(2)15-16-21)23-20(22)18-10-7-6-8-11-18/h6-8,10-11,15,19,21H,3-5,9,12,16H2,1-2H3/b17-15-