bis[2-pentoxycarbonyl-6-[2,4,5-tris(chloranyl)phenyl]phenyl] ethanedioate

Systemtic Name: bis[2-pentoxycarbonyl-6-[2,4,5-tris(chloranyl)phenyl]phenyl] ethanedioate Openeye Name: bis[2-pentoxycarbonyl-6-(2,4,5-trichlorophenyl)phenyl] oxalate CAS Name: oxalic acid bis[2-[oxo(pentoxy)methyl]-6-(2,4,5-trichlorophenyl)phenyl] ester IUPAC Name: bis[2-pentoxycarbonyl-6-(2,4,5-trichlorophenyl)phenyl] oxalate Traditional Name: oxalic acid bis[2-amoxycarbonyl-6-(2,4,5-trichlorophenyl)phenyl] ester Formula: C38H32Cl6O8 MolecularWeight: 829.37388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=CC(=C1OC(=O)C(=O)OC2=C(C=CC=C2C(=O)OCCCCC)C3=CC(=C(C=C3Cl)Cl)Cl)C4=CC(=C(C=C4Cl)Cl)Cl

Isomeric SMILES

CCCCCOC(=O)C1=CC=CC(=C1OC(=O)C(=O)OC2=C(C=CC=C2C(=O)OCCCCC)C3=CC(=C(C=C3Cl)Cl)Cl)C4=CC(=C(C=C4Cl)Cl)Cl

InChI

InChI=1S/C38H32Cl6O8/c1-3-5-7-15-49-35(45)23-13-9-11-21(25-17-29(41)31(43)19-27(25)39)33(23)51-37(47)38(48)52-34-22(26-18-30(42)32(44)20-28(26)40)12-10-14-24(34)36(46)50-16-8-6-4-2/h9-14,17-20H,3-8,15-16H2,1-2H3