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

Systemtic Name: 3-[1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)-2H-oxepin-6-one Openeye Name: 3-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-2H-oxepin-6-one CAS Name: 3-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-2H-oxepin-6-one IUPAC Name: 3-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-2H-oxepin-6-one Traditional Name: 3-(1,2-dihydroxyethyl)-3,4,5-trihydroxy-2H-oxepin-6-one Formula: C8H12O7 MolecularWeight: 220.17668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(C(CO1)(C(CO)O)O)O)O

Isomeric SMILES

C1C(=O)C(=C(C(CO1)(C(CO)O)O)O)O

InChI

InChI=1S/C8H12O7/c9-1-5(11)8(14)3-15-2-4(10)6(12)7(8)13/h5,9,11-14H,1-3H2