2,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis[2,4-bis(1,1-dimethylpropyl)phenyl]benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis[2,4-bis(2-methylbutan-2-yl)phenyl]benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(2,4-ditert-amylphenyl)isophthalic acid Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(=O)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)C(=O)O)C(C)(C)CC

InChI

InChI=1S/C40H54O4/c1-13-37(5,6)25-17-19-27(31(23-25)39(9,10)15-3)28-21-22-30(35(41)42)33(34(28)36(43)44)29-20-18-26(38(7,8)14-2)24-32(29)40(11,12)16-4/h17-24H,13-16H2,1-12H3,(H,41,42)(H,43,44)