2,5-bis[[4-(3,5,5-trimethylhexyl)phenyl]carbonyl]terephthalic acid

Systemtic Name: 2,5-bis[[4-(3,5,5-trimethylhexyl)phenyl]carbonyl]terephthalic acid Openeye Name: 2,5-bis[4-(3,5,5-trimethylhexyl)benzoyl]terephthalic acid CAS Name: 2,5-bis[oxo-[4-(3,5,5-trimethylhexyl)phenyl]methyl]terephthalic acid IUPAC Name: 2,5-bis[4-(3,5,5-trimethylhexyl)benzoyl]terephthalic acid Traditional Name: 2,5-bis[4-(3,5,5-trimethylhexyl)benzoyl]terephthalic acid Formula: C40H50O6 MolecularWeight: 626.8214

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)C3=CC=C(C=C3)CCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)C3=CC=C(C=C3)CCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C40H50O6/c1-25(23-39(3,4)5)9-11-27-13-17-29(18-14-27)35(41)31-21-34(38(45)46)32(22-33(31)37(43)44)36(42)30-19-15-28(16-20-30)12-10-26(2)24-40(6,7)8/h13-22,25-26H,9-12,23-24H2,1-8H3,(H,43,44)(H,45,46)