4,6-bis[(3,4-dihexylphenyl)carbonyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[(3,4-dihexylphenyl)carbonyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(3,4-dihexylbenzoyl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(3,4-dihexylphenyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(3,4-dihexylbenzoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(3,4-dihexylbenzoyl)isophthalic acid Formula: C46H62O6 MolecularWeight: 710.98088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC(=C(C=C3)CCCCCC)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC(=C(C=C3)CCCCCC)CCCCCC)CCCCCC

InChI

InChI=1S/C46H62O6/c1-5-9-13-17-21-33-25-27-37(29-35(33)23-19-15-11-7-3)43(47)39-31-40(42(46(51)52)32-41(39)45(49)50)44(48)38-28-26-34(22-18-14-10-6-2)36(30-38)24-20-16-12-8-4/h25-32H,5-24H2,1-4H3,(H,49,50)(H,51,52)