4-[3-(4-carboxyphenyl)-5-methyl-heptan-3-yl]benzoic acid

Systemtic Name: 4-[3-(4-carboxyphenyl)-5-methyl-heptan-3-yl]benzoic acid Openeye Name: 4-[1-(4-carboxyphenyl)-1-ethyl-3-methyl-pentyl]benzoic acid CAS Name: 4-[3-(4-carboxyphenyl)-5-methylheptan-3-yl]benzoic acid IUPAC Name: 4-[3-(4-carboxyphenyl)-5-methylheptan-3-yl]benzoic acid Traditional Name: 4-[1-(4-carboxyphenyl)-1-ethyl-3-methyl-pentyl]benzoic acid Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26O4/c1-4-15(3)14-22(5-2,18-10-6-16(7-11-18)20(23)24)19-12-8-17(9-13-19)21(25)26/h6-13,15H,4-5,14H2,1-3H3,(H,23,24)(H,25,26)