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

Systemtic Name: 4,6-bis[(4-nonylphenyl)carbonyl]benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(4-nonylbenzoyl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis[(4-nonylphenyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(4-nonylbenzoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(4-nonylbenzoyl)isophthalic acid Formula: C40H50O6 MolecularWeight: 626.8214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2C(=O)O)C(=O)O)C(=O)C3=CC=C(C=C3)CCCCCCCCC

InChI

InChI=1S/C40H50O6/c1-3-5-7-9-11-13-15-17-29-19-23-31(24-20-29)37(41)33-27-34(36(40(45)46)28-35(33)39(43)44)38(42)32-25-21-30(22-26-32)18-16-14-12-10-8-6-4-2/h19-28H,3-18H2,1-2H3,(H,43,44)(H,45,46)