6-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]-6-oxidanylidene-hexanoic acid; 3,5,5-trimethylhexan-1-ol

Systemtic Name: 6-[2,2-bis(hydroxymethyl)-3-oxidanyl-propoxy]-6-oxidanylidene-hexanoic acid; 3,5,5-trimethylhexan-1-ol Openeye Name: 6-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-6-oxo-hexanoic acid; 3,5,5-trimethylhexan-1-ol CAS Name: 6-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-6-oxohexanoic acid; 3,5,5-trimethyl-1-hexanol IUPAC Name: 6-[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]-6-oxohexanoic acid; 3,5,5-trimethylhexan-1-ol Traditional Name: 6-(3-hydroxy-2,2-dimethylol-propoxy)-6-keto-hexanoic acid; 3,5,5-trimethylhexan-1-ol Formula: C20H40O8 MolecularWeight: 408.5268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCO)CC(C)(C)C.C(CCC(=O)OCC(CO)(CO)CO)CC(=O)O

Isomeric SMILES

CC(CCO)CC(C)(C)C.C(CCC(=O)OCC(CO)(CO)CO)CC(=O)O

InChI

InChI=1S/C11H20O7.C9H20O/c12-5-11(6-13,7-14)8-18-10(17)4-2-1-3-9(15)16;1-8(5-6-10)7-9(2,3)4/h12-14H,1-8H2,(H,15,16);8,10H,5-7H2,1-4H3