hexane; 6-(2-hydroxyethyloxy)-5,5-bis(oxidanyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: hexane; 6-(2-hydroxyethyloxy)-5,5-bis(oxidanyl)-6-oxidanylidene-hexanoic acid Openeye Name: 5,5-dihydroxy-6-(2-hydroxyethoxy)-6-oxo-hexanoic acid; hexane CAS Name: 5,5-dihydroxy-6-(2-hydroxyethoxy)-6-oxohexanoic acid; hexane IUPAC Name: 5,5-dihydroxy-6-(2-hydroxyethoxy)-6-oxohexanoic acid; hexane Traditional Name: 5,5-dihydroxy-6-(2-hydroxyethoxy)-6-keto-hexanoic acid; n-hexane Formula: C14H28O7 MolecularWeight: 308.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC.C(CC(=O)O)CC(C(=O)OCCO)(O)O

Isomeric SMILES

CCCCCC.C(CC(=O)O)CC(C(=O)OCCO)(O)O

InChI

InChI=1S/C8H14O7.C6H14/c9-4-5-15-7(12)8(13,14)3-1-2-6(10)11;1-3-5-6-4-2/h9,13-14H,1-5H2,(H,10,11);3-6H2,1-2H3