3,6-bis(4-dodecoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid

Systemtic Name: 3,6-bis(4-dodecoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Openeye Name: 3,6-bis(4-dodecoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid CAS Name: 3,6-bis(4-dodecoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid IUPAC Name: 3,6-bis(4-dodecoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Traditional Name: 3,6-bis(4-lauryloxyphenoxy)pyromellitic acid Formula: C46H62O12 MolecularWeight: 806.97728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCCCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCCCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C46H62O12/c1-3-5-7-9-11-13-15-17-19-21-31-55-33-23-27-35(28-24-33)57-41-37(43(47)48)39(45(51)52)42(40(46(53)54)38(41)44(49)50)58-36-29-25-34(26-30-36)56-32-22-20-18-16-14-12-10-8-6-4-2/h23-30H,3-22,31-32H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)