4,6-bis[[4-(2-ethylhexyl)phenyl]carbonyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis[[4-(2-ethylhexyl)phenyl]carbonyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis[4-(2-ethylhexyl)benzoyl]benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[[4-(2-ethylhexyl)phenyl]-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis[4-(2-ethylhexyl)benzoyl]benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis[4-(2-ethylhexyl)benzoyl]isophthalic acid Formula: C38H46O6 MolecularWeight: 598.76824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CC(CC)CCCC

InChI

InChI=1S/C38H46O6/c1-5-9-11-25(7-3)21-27-13-17-29(18-14-27)35(39)31-23-32(34(38(43)44)24-33(31)37(41)42)36(40)30-19-15-28(16-20-30)22-26(8-4)12-10-6-2/h13-20,23-26H,5-12,21-22H2,1-4H3,(H,41,42)(H,43,44)