5-butanoyloxy-3-hexoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-butanoyloxy-3-hexoxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-butanoyloxy-3-hexoxycarbonyl-3-hydroxy-5-oxo-pentanoic acid CAS Name: 3-[hexoxy(oxo)methyl]-3-hydroxy-5-oxo-5-(1-oxobutoxy)pentanoic acid IUPAC Name: 5-butanoyloxy-3-hexoxycarbonyl-3-hydroxy-5-oxopentanoic acid Traditional Name: 5-butyryloxy-3-hexoxycarbonyl-3-hydroxy-5-keto-valeric acid Formula: C16H26O8 MolecularWeight: 346.37284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC(=O)O)(CC(=O)OC(=O)CCC)O

Isomeric SMILES

CCCCCCOC(=O)C(CC(=O)O)(CC(=O)OC(=O)CCC)O

InChI

InChI=1S/C16H26O8/c1-3-5-6-7-9-23-15(21)16(22,10-12(17)18)11-14(20)24-13(19)8-4-2/h22H,3-11H2,1-2H3,(H,17,18)