6,7-bis(oxidanyl)hept-1-yn-3-yl ethanoate

Systemtic Name: 6,7-bis(oxidanyl)hept-1-yn-3-yl ethanoate Openeye Name: (1-ethynyl-4,5-dihydroxy-pentyl) acetate CAS Name: acetic acid 6,7-dihydroxyhept-1-yn-3-yl ester IUPAC Name: 6,7-dihydroxyhept-1-yn-3-yl acetate Traditional Name: acetic acid 1-(3,4-dihydroxybutyl)prop-2-ynyl ester Formula: C9H14O4 MolecularWeight: 186.20506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC(CO)O)C#C

Isomeric SMILES

CC(=O)OC(CCC(CO)O)C#C

InChI

InChI=1S/C9H14O4/c1-3-9(13-7(2)11)5-4-8(12)6-10/h1,8-10,12H,4-6H2,2H3