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

Systemtic Name: 4,6-bis[(4-nonylphenyl)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis[(4-nonylphenyl)methyl]benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(4-nonylphenyl)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis[(4-nonylphenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(4-nonylbenzyl)isophthalic acid Formula: C40H54O4 MolecularWeight: 598.85436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)C(=O)O)CC3=CC=C(C=C3)CCCCCCCCC

InChI

InChI=1S/C40H54O4/c1-3-5-7-9-11-13-15-17-31-19-23-33(24-20-31)27-35-29-36(38(40(43)44)30-37(35)39(41)42)28-34-25-21-32(22-26-34)18-16-14-12-10-8-6-4-2/h19-26,29-30H,3-18,27-28H2,1-2H3,(H,41,42)(H,43,44)