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

Systemtic Name: 4,6-bis[(4-hexylphenyl)carbonyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(4-hexylbenzoyl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(4-hexylphenyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(4-hexylbenzoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(4-hexylbenzoyl)isophthalic acid Formula: C34H38O6 MolecularWeight: 542.66192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C34H38O6/c1-3-5-7-9-11-23-13-17-25(18-14-23)31(35)27-21-28(30(34(39)40)22-29(27)33(37)38)32(36)26-19-15-24(16-20-26)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3,(H,37,38)(H,39,40)