2-[5-(2-carboxyphenyl)-2,5-dimethyl-hexan-2-yl]benzoic acid

Systemtic Name: 2-[5-(2-carboxyphenyl)-2,5-dimethyl-hexan-2-yl]benzoic acid Openeye Name: 2-[4-(2-carboxyphenyl)-1,1,4-trimethyl-pentyl]benzoic acid CAS Name: 2-[5-(2-carboxyphenyl)-2,5-dimethylhexan-2-yl]benzoic acid IUPAC Name: 2-[5-(2-carboxyphenyl)-2,5-dimethylhexan-2-yl]benzoic acid Traditional Name: 2-[4-(2-carboxyphenyl)-1,1,4-trimethyl-pentyl]benzoic acid Formula: C22H26O4 MolecularWeight: 354.43944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C)(C)C1=CC=CC=C1C(=O)O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(CCC(C)(C)C1=CC=CC=C1C(=O)O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C22H26O4/c1-21(2,17-11-7-5-9-15(17)19(23)24)13-14-22(3,4)18-12-8-6-10-16(18)20(25)26/h5-12H,13-14H2,1-4H3,(H,23,24)(H,25,26)