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

Systemtic Name: 4,6-bis[(3,4-dihexylphenyl)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis[(3,4-dihexylphenyl)methyl]benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(3,4-dihexylphenyl)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis[(3,4-dihexylphenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(3,4-dihexylbenzyl)isophthalic acid Formula: C46H66O4 MolecularWeight: 683.01384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC(=C(C=C3)CCCCCC)CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC(=C(C=C3)CCCCCC)CCCCCC)CCCCCC

InChI

InChI=1S/C46H66O4/c1-5-9-13-17-21-37-27-25-35(29-39(37)23-19-15-11-7-3)31-41-33-42(44(46(49)50)34-43(41)45(47)48)32-36-26-28-38(22-18-14-10-6-2)40(30-36)24-20-16-12-8-4/h25-30,33-34H,5-24,31-32H2,1-4H3,(H,47,48)(H,49,50)