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

Systemtic Name: 2,5-bis[(4-hexylphenyl)methyl]terephthalic acid Openeye Name: 2,5-bis[(4-hexylphenyl)methyl]terephthalic acid CAS Name: 2,5-bis[(4-hexylphenyl)methyl]terephthalic acid IUPAC Name: 2,5-bis[(4-hexylphenyl)methyl]terephthalic acid Traditional Name: 2,5-bis(4-hexylbenzyl)terephthalic acid Formula: C34H42O4 MolecularWeight: 514.69488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H42O4/c1-3-5-7-9-11-25-13-17-27(18-14-25)21-29-23-32(34(37)38)30(24-31(29)33(35)36)22-28-19-15-26(16-20-28)12-10-8-6-4-2/h13-20,23-24H,3-12,21-22H2,1-2H3,(H,35,36)(H,37,38)