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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)CCCCCCCCCCCC

InChI

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