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

Systemtic Name: 3,6-bis(4-octoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Openeye Name: 3,6-bis(4-octoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid CAS Name: 3,6-bis(4-octoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid IUPAC Name: 3,6-bis(4-octoxyphenoxy)benzene-1,2,4,5-tetracarboxylic acid Traditional Name: 3,6-bis(4-octoxyphenoxy)pyromellitic acid Formula: C38H46O12 MolecularWeight: 694.76464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCCCCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCCCCCCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C38H46O12/c1-3-5-7-9-11-13-23-47-25-15-19-27(20-16-25)49-33-29(35(39)40)31(37(43)44)34(32(38(45)46)30(33)36(41)42)50-28-21-17-26(18-22-28)48-24-14-12-10-8-6-4-2/h15-22H,3-14,23-24H2,1-2H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)