4-[2-(4-bromophenyl)ethyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-(4-bromophenyl)ethyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-(4-bromophenyl)ethyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-(4-bromophenyl)ethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-(4-bromophenyl)ethyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-(4-bromophenyl)ethyl]isophthalic acid Formula: C16H13BrO4 MolecularWeight: 349.17602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC2=C(C=C(C=C2)C(=O)O)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CCC2=C(C=C(C=C2)C(=O)O)C(=O)O)Br

InChI

InChI=1S/C16H13BrO4/c17-13-7-2-10(3-8-13)1-4-11-5-6-12(15(18)19)9-14(11)16(20)21/h2-3,5-9H,1,4H2,(H,18,19)(H,20,21)