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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCC(CC)CCCC)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)COC1=CC=C(C=C1)OC2=C(C(=C(C(=C2C(=O)O)C(=O)O)OC3=CC=C(C=C3)OCC(CC)CCCC)C(=O)O)C(=O)O

InChI

InChI=1S/C38H46O12/c1-5-9-11-23(7-3)21-47-25-13-17-27(18-14-25)49-33-29(35(39)40)31(37(43)44)34(32(38(45)46)30(33)36(41)42)50-28-19-15-26(16-20-28)48-22-24(8-4)12-10-6-2/h13-20,23-24H,5-12,21-22H2,1-4H3,(H,39,40)(H,41,42)(H,43,44)(H,45,46)