3,6-bis[4-(4-dodecylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylic acid

Systemtic Name: 3,6-bis[4-(4-dodecylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylic acid Openeye Name: 3,6-bis[4-(4-dodecylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylic acid CAS Name: 3,6-bis[4-(4-dodecylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylic acid IUPAC Name: 3,6-bis[4-(4-dodecylphenyl)phenyl]benzene-1,2,4,5-tetracarboxylic acid Traditional Name: 3,6-bis[4-(4-laurylphenyl)phenyl]pyromellitic acid Formula: C58H70O8 MolecularWeight: 895.1716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C(=C3C(=O)O)C(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)CCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=C(C(=C3C(=O)O)C(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)CCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C58H70O8/c1-3-5-7-9-11-13-15-17-19-21-23-41-25-29-43(30-26-41)45-33-37-47(38-34-45)49-51(55(59)60)53(57(63)64)50(54(58(65)66)52(49)56(61)62)48-39-35-46(36-40-48)44-31-27-42(28-32-44)24-22-20-18-16-14-12-10-8-6-4-2/h25-40H,3-24H2,1-2H3,(H,59,60)(H,61,62)(H,63,64)(H,65,66)