3-(2-methylheptan-2-yl)-2-oxidanyl-5-phenyl-benzoic acid

Systemtic Name: 3-(2-methylheptan-2-yl)-2-oxidanyl-5-phenyl-benzoic acid Openeye Name: 3-(1,1-dimethylhexyl)-2-hydroxy-5-phenyl-benzoic acid CAS Name: 2-hydroxy-3-(2-methylheptan-2-yl)-5-phenylbenzoic acid IUPAC Name: 2-hydroxy-3-(2-methylheptan-2-yl)-5-phenylbenzoic acid Traditional Name: 3-(1,1-dimethylhexyl)-2-hydroxy-5-phenyl-benzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=CC(=C1O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H26O3/c1-4-5-9-12-21(2,3)18-14-16(15-10-7-6-8-11-15)13-17(19(18)22)20(23)24/h6-8,10-11,13-14,22H,4-5,9,12H2,1-3H3,(H,23,24)