3-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-3-prop-1-ynyl-2H-oxepin-6-one

Systemtic Name: 3-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)-3-prop-1-ynyl-2H-oxepin-6-one Openeye Name: 3-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-prop-1-ynyl-2H-oxepin-6-one CAS Name: 3-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-prop-1-ynyl-2H-oxepin-6-one IUPAC Name: 3-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-prop-1-ynyl-2H-oxepin-6-one Traditional Name: 3-(1,2-dihydroxyethyl)-4,5-dihydroxy-3-prop-1-ynyl-2H-oxepin-6-one Formula: C11H14O6 MolecularWeight: 242.22526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(COCC(=O)C(=C1O)O)C(CO)O

Isomeric SMILES

CC#CC1(COCC(=O)C(=C1O)O)C(CO)O

InChI

InChI=1S/C11H14O6/c1-2-3-11(8(14)4-12)6-17-5-7(13)9(15)10(11)16/h8,12,14-16H,4-6H2,1H3