2,4-bis(chloranyl)-5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid IUPAC Name: 2,4-dichloro-5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid Formula: C20H13Cl2NO8S MolecularWeight: 498.29012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C20H13Cl2NO8S/c1-30-13-5-2-11(3-6-13)14-8-12(23(26)27)4-7-18(14)31-32(28,29)19-9-15(20(24)25)16(21)10-17(19)22/h2-10H,1H3,(H,24,25)