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

Systemtic Name: 5-(2-methylheptan-2-yl)-2-oxidanyl-3-phenyl-benzoic acid Openeye Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-phenyl-benzoic acid CAS Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-phenylbenzoic acid IUPAC Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-phenylbenzoic acid Traditional Name: 5-(1,1-dimethylhexyl)-2-hydroxy-3-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(=C(C(=C1)C2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

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

InChI

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