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

Systemtic Name: 2,5-bis[[4-(3,5,5-trimethylhexyl)phenyl]methyl]terephthalic acid Openeye Name: 2,5-bis[[4-(3,5,5-trimethylhexyl)phenyl]methyl]terephthalic acid CAS Name: 2,5-bis[[4-(3,5,5-trimethylhexyl)phenyl]methyl]terephthalic acid IUPAC Name: 2,5-bis[[4-(3,5,5-trimethylhexyl)phenyl]methyl]terephthalic acid Traditional Name: 2,5-bis[4-(3,5,5-trimethylhexyl)benzyl]terephthalic acid Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)CC3=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)CC2=CC(=C(C=C2C(=O)O)CC3=CC=C(C=C3)CCC(C)CC(C)(C)C)C(=O)O)CC(C)(C)C

InChI

InChI=1S/C40H54O4/c1-27(25-39(3,4)5)9-11-29-13-17-31(18-14-29)21-33-23-36(38(43)44)34(24-35(33)37(41)42)22-32-19-15-30(16-20-32)12-10-28(2)26-40(6,7)8/h13-20,23-24,27-28H,9-12,21-22,25-26H2,1-8H3,(H,41,42)(H,43,44)