3-[3-carboxy-2-(2,4-dichlorophenyl)-4-nitro-phenoxy]-2-(2,4-dichlorophenyl)-6-nitro-benzoic acid

Systemtic Name: 3-[3-carboxy-2-(2,4-dichlorophenyl)-4-nitro-phenoxy]-2-(2,4-dichlorophenyl)-6-nitro-benzoic acid Openeye Name: 3-[3-carboxy-2-(2,4-dichlorophenyl)-4-nitro-phenoxy]-2-(2,4-dichlorophenyl)-6-nitro-benzoic acid CAS Name: 3-[3-carboxy-2-(2,4-dichlorophenyl)-4-nitrophenoxy]-2-(2,4-dichlorophenyl)-6-nitrobenzoic acid IUPAC Name: 3-[3-carboxy-2-(2,4-dichlorophenyl)-4-nitrophenoxy]-2-(2,4-dichlorophenyl)-6-nitrobenzoic acid Traditional Name: 3-[3-carboxy-2-(2,4-dichlorophenyl)-4-nitro-phenoxy]-2-(2,4-dichlorophenyl)-6-nitro-benzoic acid Formula: C26H12Cl4N2O9 MolecularWeight: 638.19348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2C(=O)O)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C(=O)O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2C(=O)O)[N+](=O)[O-])OC3=C(C(=C(C=C3)[N+](=O)[O-])C(=O)O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H12Cl4N2O9/c27-11-1-3-13(15(29)9-11)21-19(7-5-17(31(37)38)23(21)25(33)34)41-20-8-6-18(32(39)40)24(26(35)36)22(20)14-4-2-12(28)10-16(14)30/h1-10H,(H,33,34)(H,35,36)