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4,6-bis[(2,5-dimethylphenyl)methyl]benzene-1,3-dicarboxylic acid

4,6-bis[(2,5-dimethylphenyl)methyl]benzene-1,3-dicarboxylic acid

Systemtic Name:4,6-bis[(2,5-dimethylphenyl)methyl]benzene-1,3-dicarboxylic acid
Openeye Name:4,6-bis[(2,5-dimethylphenyl)methyl]benzene-1,3-dicarboxylic acid
CAS Name:4,6-bis[(2,5-dimethylphenyl)methyl]benzene-1,3-dicarboxylic acid
IUPAC Name:4,6-bis[(2,5-dimethylphenyl)methyl]benzene-1,3-dicarboxylic acid
Traditional Name:4,6-bis(2,5-dimethylbenzyl)isophthalic acid
Formula: C26H26O4
MolecularWeight: 402.48224
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=C(C=CC(=C3)C)C


Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=C(C=CC(=C3)C)C


InChI

InChI=1S/C26H26O4/c1-15-5-7-17(3)19(9-15)11-21-13-22(12-20-10-16(2)6-8-18(20)4)24(26(29)30)14-23(21)25(27)28/h5-10,13-14H,11-12H2,1-4H3,(H,27,28)(H,29,30)


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