2-[(4-bromophenyl)methyl]-5-(phenylmethyl)terephthalic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-5-(phenylmethyl)terephthalic acid Openeye Name: 2-benzyl-5-[(4-bromophenyl)methyl]terephthalic acid CAS Name: 2-[(4-bromophenyl)methyl]-5-(phenylmethyl)terephthalic acid IUPAC Name: 2-benzyl-5-[(4-bromophenyl)methyl]terephthalic acid Traditional Name: 2-benzyl-5-(4-bromobenzyl)terephthalic acid Formula: C22H17BrO4 MolecularWeight: 425.27198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=C(C(=C2)C(=O)O)CC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=C(C(=C2)C(=O)O)CC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H17BrO4/c23-18-8-6-15(7-9-18)11-17-13-19(21(24)25)16(12-20(17)22(26)27)10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,25)(H,26,27)