4,6-bis[(4-dodecylphenyl)carbonyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[(4-dodecylphenyl)carbonyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(4-dodecylbenzoyl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(4-dodecylphenyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(4-dodecylbenzoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(4-laurylbenzoyl)isophthalic acid Formula: C46H62O6 MolecularWeight: 710.98088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCCCCCCCC

InChI

InChI=1S/C46H62O6/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)43(47)39-33-40(42(46(51)52)34-41(39)45(49)50)44(48)38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34H,3-24H2,1-2H3,(H,49,50)(H,51,52)