2-[2,2-bis(hydroxymethyl)butoxycarbonyl]cyclopentane-1-carboxylic acid

Systemtic Name: 2-[2,2-bis(hydroxymethyl)butoxycarbonyl]cyclopentane-1-carboxylic acid Openeye Name: 2-[2,2-bis(hydroxymethyl)butoxycarbonyl]cyclopentanecarboxylic acid CAS Name: 2-[2,2-bis(hydroxymethyl)butoxy-oxomethyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[2,2-bis(hydroxymethyl)butoxycarbonyl]cyclopentane-1-carboxylic acid Traditional Name: 2-(2,2-dimethylolbutoxycarbonyl)cyclopentanecarboxylic acid Formula: C13H22O6 MolecularWeight: 274.31018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(CO)COC(=O)C1CCCC1C(=O)O

Isomeric SMILES

CCC(CO)(CO)COC(=O)C1CCCC1C(=O)O

InChI

InChI=1S/C13H22O6/c1-2-13(6-14,7-15)8-19-12(18)10-5-3-4-9(10)11(16)17/h9-10,14-15H,2-8H2,1H3,(H,16,17)