3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylbenzoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylbenzoic acid Openeye Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylbenzoic acid CAS Name: 3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid Traditional Name: 3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylbenzoic acid Formula: C20H15NO8S MolecularWeight: 429.4

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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=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO8S/c1-28-16-8-5-13(6-9-16)18-12-15(21(24)25)7-10-19(18)29-30(26,27)17-4-2-3-14(11-17)20(22)23/h2-12H,1H3,(H,22,23)