5-octyl-6-(2,3,4-trioctylphenyl)benzene-1,2,3,4-tetracarboxylate

Systemtic Name: 5-octyl-6-(2,3,4-trioctylphenyl)benzene-1,2,3,4-tetracarboxylate Openeye Name: 5-octyl-6-(2,3,4-trioctylphenyl)benzene-1,2,3,4-tetracarboxylate CAS Name: 5-octyl-6-(2,3,4-trioctylphenyl)benzene-1,2,3,4-tetracarboxylate IUPAC Name: 5-octyl-6-(2,3,4-trioctylphenyl)benzene-1,2,3,4-tetracarboxylate Traditional Name: 5-octyl-6-(2,3,4-trioctylphenyl)benzene-1,2,3,4-tetracarboxylate Formula: C48H70O8-4 MolecularWeight: 775.0646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C2=C(C(=C(C(=C2CCCCCCCC)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C2=C(C(=C(C(=C2CCCCCCCC)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C48H74O8/c1-5-9-13-17-21-25-29-35-33-34-38(37(31-27-23-19-15-11-7-3)36(35)30-26-22-18-14-10-6-2)40-39(32-28-24-20-16-12-8-4)41(45(49)50)43(47(53)54)44(48(55)56)42(40)46(51)52/h33-34H,5-32H2,1-4H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)/p-4