2,4-bis(2-bromanyl-4-ethyl-phenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(2-bromanyl-4-ethyl-phenyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(2-bromo-4-ethyl-phenyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(2-bromo-4-ethylphenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(2-bromo-4-ethylphenyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(2-bromo-4-ethyl-phenyl)isophthalic acid Formula: C24H20Br2O4 MolecularWeight: 532.2212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)CC)Br)C(=O)O)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)CC)Br)C(=O)O)Br

InChI

InChI=1S/C24H20Br2O4/c1-3-13-5-7-15(19(25)11-13)16-9-10-18(23(27)28)21(22(16)24(29)30)17-8-6-14(4-2)12-20(17)26/h5-12H,3-4H2,1-2H3,(H,27,28)(H,29,30)