2-oxidanyl-3-(phenylmethyl)-5-(2,4,4-trimethylpentan-2-yl)benzoic acid

Systemtic Name: 2-oxidanyl-3-(phenylmethyl)-5-(2,4,4-trimethylpentan-2-yl)benzoic acid Openeye Name: 3-benzyl-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzoic acid CAS Name: 2-hydroxy-3-(phenylmethyl)-5-(2,4,4-trimethylpentan-2-yl)benzoic acid IUPAC Name: 3-benzyl-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)benzoic acid Traditional Name: 3-benzyl-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzoic acid Formula: C22H28O3 MolecularWeight: 340.45592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=CC=CC=C2

InChI

InChI=1S/C22H28O3/c1-21(2,3)14-22(4,5)17-12-16(11-15-9-7-6-8-10-15)19(23)18(13-17)20(24)25/h6-10,12-13,23H,11,14H2,1-5H3,(H,24,25)