2,5-bis[(4-nonylphenyl)carbonyl]terephthalic acid

Systemtic Name: 2,5-bis[(4-nonylphenyl)carbonyl]terephthalic acid Openeye Name: 2,5-bis(4-nonylbenzoyl)terephthalic acid CAS Name: 2,5-bis[(4-nonylphenyl)-oxomethyl]terephthalic acid IUPAC Name: 2,5-bis(4-nonylbenzoyl)terephthalic acid Traditional Name: 2,5-bis(4-nonylbenzoyl)terephthalic acid Formula: C40H50O6 MolecularWeight: 626.8214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCCCCC)C(=O)O

InChI

InChI=1S/C40H50O6/c1-3-5-7-9-11-13-15-17-29-19-23-31(24-20-29)37(41)33-27-36(40(45)46)34(28-35(33)39(43)44)38(42)32-25-21-30(22-26-32)18-16-14-12-10-8-6-4-2/h19-28H,3-18H2,1-2H3,(H,43,44)(H,45,46)