4-[2-(4-carboxyphenyl)-4-methyl-pentan-2-yl]benzoic acid

Systemtic Name: 4-[2-(4-carboxyphenyl)-4-methyl-pentan-2-yl]benzoic acid Openeye Name: 4-[1-(4-carboxyphenyl)-1,3-dimethyl-butyl]benzoic acid CAS Name: 4-[2-(4-carboxyphenyl)-4-methylpentan-2-yl]benzoic acid IUPAC Name: 4-[2-(4-carboxyphenyl)-4-methylpentan-2-yl]benzoic acid Traditional Name: 4-[1-(4-carboxyphenyl)-1,3-dimethyl-butyl]benzoic acid Formula: C20H22O4 MolecularWeight: 326.38628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O4/c1-13(2)12-20(3,16-8-4-14(5-9-16)18(21)22)17-10-6-15(7-11-17)19(23)24/h4-11,13H,12H2,1-3H3,(H,21,22)(H,23,24)