methyl 4-[2,2-dimethyl-1,3-bis(oxidanyl)propyl]benzoate

Systemtic Name: methyl 4-[2,2-dimethyl-1,3-bis(oxidanyl)propyl]benzoate Openeye Name: methyl 4-(1,3-dihydroxy-2,2-dimethyl-propyl)benzoate CAS Name: 4-(1,3-dihydroxy-2,2-dimethylpropyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-dihydroxy-2,2-dimethylpropyl)benzoate Traditional Name: 4-(1,3-dihydroxy-2,2-dimethyl-propyl)benzoic acid methyl ester Formula: C13H18O4 MolecularWeight: 238.27962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C1=CC=C(C=C1)C(=O)OC)O

Isomeric SMILES

CC(C)(CO)C(C1=CC=C(C=C1)C(=O)OC)O

InChI

InChI=1S/C13H18O4/c1-13(2,8-14)11(15)9-4-6-10(7-5-9)12(16)17-3/h4-7,11,14-15H,8H2,1-3H3