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2,5-bis[(3,4-dihexylphenyl)methyl]terephthalic acid

2,5-bis[(3,4-dihexylphenyl)methyl]terephthalic acid

Systemtic Name:2,5-bis[(3,4-dihexylphenyl)methyl]terephthalic acid
Openeye Name:2,5-bis[(3,4-dihexylphenyl)methyl]terephthalic acid
CAS Name:2,5-bis[(3,4-dihexylphenyl)methyl]terephthalic acid
IUPAC Name:2,5-bis[(3,4-dihexylphenyl)methyl]terephthalic acid
Traditional Name:2,5-bis(3,4-dihexylbenzyl)terephthalic 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)CC3=CC(=C(C=C3)CCCCCC)CCCCCC)C(=O)O)CCCCCC


Isomeric SMILES

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


InChI

InChI=1S/C46H66O4/c1-5-9-13-17-21-37-27-25-35(29-39(37)23-19-15-11-7-3)31-41-33-44(46(49)50)42(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)


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