2-methylpropyl 4-[[2-[2,3-bis(oxidanyl)propoxy]phenyl]methyl]benzoate

Systemtic Name: 2-methylpropyl 4-[[2-[2,3-bis(oxidanyl)propoxy]phenyl]methyl]benzoate Openeye Name: isobutyl 4-[[2-(2,3-dihydroxypropoxy)phenyl]methyl]benzoate CAS Name: 4-[[2-(2,3-dihydroxypropoxy)phenyl]methyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[2-(2,3-dihydroxypropoxy)phenyl]methyl]benzoate Traditional Name: 4-(2-glyceryloxybenzyl)benzoic acid isobutyl ester Formula: C21H26O5 MolecularWeight: 358.42814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2OCC(CO)O

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)CC2=CC=CC=C2OCC(CO)O

InChI

InChI=1S/C21H26O5/c1-15(2)13-26-21(24)17-9-7-16(8-10-17)11-18-5-3-4-6-20(18)25-14-19(23)12-22/h3-10,15,19,22-23H,11-14H2,1-2H3