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

Systemtic Name: 4,6-bis[(4-hexylphenyl)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis[(4-hexylphenyl)methyl]benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(4-hexylphenyl)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis[(4-hexylphenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(4-hexylbenzyl)isophthalic 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)C(=O)O)CC3=CC=C(C=C3)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C34H42O4/c1-3-5-7-9-11-25-13-17-27(18-14-25)21-29-23-30(32(34(37)38)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)