2,5-bis(4,6,6-trimethyl-1-phenyl-heptyl)terephthalic acid

Systemtic Name: 2,5-bis(4,6,6-trimethyl-1-phenyl-heptyl)terephthalic acid Openeye Name: 2,5-bis(4,6,6-trimethyl-1-phenyl-heptyl)terephthalic acid CAS Name: 2,5-bis(4,6,6-trimethyl-1-phenylheptyl)terephthalic acid IUPAC Name: 2,5-bis(4,6,6-trimethyl-1-phenylheptyl)terephthalic acid Traditional Name: 2,5-bis(4,6,6-trimethyl-1-phenyl-heptyl)terephthalic acid Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H54O4/c1-27(25-39(3,4)5)19-21-31(29-15-11-9-12-16-29)33-23-36(38(43)44)34(24-35(33)37(41)42)32(30-17-13-10-14-18-30)22-20-28(2)26-40(6,7)8/h9-18,23-24,27-28,31-32H,19-22,25-26H2,1-8H3,(H,41,42)(H,43,44)