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

Systemtic Name: 3-[4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylphenyl]propionic acid Formula: C22H19NO8S MolecularWeight: 457.45316

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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=C(C=C3)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO8S/c1-30-18-8-5-16(6-9-18)20-14-17(23(26)27)7-12-21(20)31-32(28,29)19-10-2-15(3-11-19)4-13-22(24)25/h2-3,5-12,14H,4,13H2,1H3,(H,24,25)