methyl 2-[(Z)-7-oxidanylhept-3-en-1,5-diynyl]benzoate

Systemtic Name: methyl 2-[(Z)-7-oxidanylhept-3-en-1,5-diynyl]benzoate Openeye Name: methyl 2-[(Z)-7-hydroxyhept-3-en-1,5-diynyl]benzoate CAS Name: 2-[(Z)-7-hydroxyhept-3-en-1,5-diynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(Z)-7-hydroxyhept-3-en-1,5-diynyl]benzoate Traditional Name: 2-[(Z)-7-hydroxyhept-3-en-1,5-diynyl]benzoic acid methyl ester Formula: C15H12O3 MolecularWeight: 240.25398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CC=CC#CCO

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#C/C=C\C#CCO

InChI

InChI=1S/C15H12O3/c1-18-15(17)14-11-7-6-10-13(14)9-5-3-2-4-8-12-16/h2-3,6-7,10-11,16H,12H2,1H3/b3-2-