2-[3-[3-(carboxymethyloxycarbonyl)-2-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-nitro-phenoxy]-2-[2-chloranyl-4-(trifluoromethyl)phenyl]-6-nitro-phenyl]carbonyloxyethanoic acid

Systemtic Name: 2-[3-[3-(carboxymethyloxycarbonyl)-2-[2-chloranyl-4-(trifluoromethyl)phenyl]-4-nitro-phenoxy]-2-[2-chloranyl-4-(trifluoromethyl)phenyl]-6-nitro-phenyl]carbonyloxyethanoic acid Openeye Name: 2-[3-[3-(carboxymethyloxycarbonyl)-2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitro-phenoxy]-2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitro-benzoyl]oxyacetic acid CAS Name: 2-[[3-[3-[carboxymethyloxy(oxo)methyl]-2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitrophenoxy]-2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitrophenyl]-oxomethoxy]acetic acid IUPAC Name: 2-[3-[3-(carboxymethyloxycarbonyl)-2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitrophenoxy]-2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitrobenzoyl]oxyacetic acid Traditional Name: 2-[3-[3-(carboxymethyloxycarbonyl)-2-[2-chloro-4-(trifluoromethyl)phenyl]-4-nitro-phenoxy]-2-[2-chloro-4-(trifluoromethyl)phenyl]-6-nitro-benzoyl]oxyacetic acid Formula: C32H16Cl2F6N2O13 MolecularWeight: 821.371459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)C2=C(C=CC(=C2C(=O)OCC(=O)O)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)O)C4=C(C=C(C=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)C2=C(C=CC(=C2C(=O)OCC(=O)O)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C(=O)OCC(=O)O)C4=C(C=C(C=C4)C(F)(F)F)Cl

InChI

InChI=1S/C32H16Cl2F6N2O13/c33-17-9-13(31(35,36)37)1-3-15(17)25-21(7-5-19(41(49)50)27(25)29(47)53-11-23(43)44)55-22-8-6-20(42(51)52)28(30(48)54-12-24(45)46)26(22)16-4-2-14(10-18(16)34)32(38,39)40/h1-10H,11-12H2,(H,43,44)(H,45,46)