2-(2,2-dimethyl-3-oxidanyl-propoxy)carbonylbenzoic acid

Systemtic Name: 2-(2,2-dimethyl-3-oxidanyl-propoxy)carbonylbenzoic acid Openeye Name: 2-(3-hydroxy-2,2-dimethyl-propoxy)carbonylbenzoic acid CAS Name: 2-[(3-hydroxy-2,2-dimethylpropoxy)-oxomethyl]benzoic acid IUPAC Name: 2-(3-hydroxy-2,2-dimethylpropoxy)carbonylbenzoic acid Traditional Name: 2-(3-hydroxy-2,2-dimethyl-propoxy)carbonylbenzoic acid Formula: C13H16O5 MolecularWeight: 252.26314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)(CO)COC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H16O5/c1-13(2,7-14)8-18-12(17)10-6-4-3-5-9(10)11(15)16/h3-6,14H,7-8H2,1-2H3,(H,15,16)