methyl 7-(furan-2-yl)-7-oxidanyl-hept-2-ynoate

Systemtic Name: methyl 7-(furan-2-yl)-7-oxidanyl-hept-2-ynoate Openeye Name: methyl 7-(2-furyl)-7-hydroxy-hept-2-ynoate CAS Name: 7-(2-furanyl)-7-hydroxy-2-heptynoic acid methyl ester IUPAC Name: methyl 7-(furan-2-yl)-7-hydroxyhept-2-ynoate Traditional Name: 7-(2-furyl)-7-hydroxy-hept-2-ynoic acid methyl ester Formula: C12H14O4 MolecularWeight: 222.23716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCCCC(C1=CC=CO1)O

Isomeric SMILES

COC(=O)C#CCCCC(C1=CC=CO1)O

InChI

InChI=1S/C12H14O4/c1-15-12(14)8-4-2-3-6-10(13)11-7-5-9-16-11/h5,7,9-10,13H,2-3,6H2,1H3