4-[4-(4-carboxyphenyl)-3,4-dimethyl-hexan-3-yl]benzoic acid

Systemtic Name: 4-[4-(4-carboxyphenyl)-3,4-dimethyl-hexan-3-yl]benzoic acid Openeye Name: 4-[2-(4-carboxyphenyl)-1-ethyl-1,2-dimethyl-butyl]benzoic acid CAS Name: 4-[4-(4-carboxyphenyl)-3,4-dimethylhexan-3-yl]benzoic acid IUPAC Name: 4-[4-(4-carboxyphenyl)-3,4-dimethylhexan-3-yl]benzoic acid Traditional Name: 4-[2-(4-carboxyphenyl)-1-ethyl-1,2-dimethyl-butyl]benzoic acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O4/c1-5-21(3,17-11-7-15(8-12-17)19(23)24)22(4,6-2)18-13-9-16(10-14-18)20(25)26/h7-14H,5-6H2,1-4H3,(H,23,24)(H,25,26)