methyl (2E)-2-(3-oxidanyl-2-prop-1-ynyl-cyclohexylidene)ethanoate

Systemtic Name: methyl (2E)-2-(3-oxidanyl-2-prop-1-ynyl-cyclohexylidene)ethanoate Openeye Name: methyl (2E)-2-(3-hydroxy-2-prop-1-ynyl-cyclohexylidene)acetate CAS Name: (2E)-2-(3-hydroxy-2-prop-1-ynylcyclohexylidene)acetic acid methyl ester IUPAC Name: methyl (2E)-2-(3-hydroxy-2-prop-1-ynylcyclohexylidene)acetate Traditional Name: (2E)-2-(3-hydroxy-2-prop-1-ynyl-cyclohexylidene)acetic acid methyl ester Formula: C12H16O3 MolecularWeight: 208.25364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1C(CCCC1=CC(=O)OC)O

Isomeric SMILES

CC#CC\1C(CCC/C1=C\C(=O)OC)O

InChI

InChI=1S/C12H16O3/c1-3-5-10-9(8-12(14)15-2)6-4-7-11(10)13/h8,10-11,13H,4,6-7H2,1-2H3/b9-8+