(E)-3-[4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylphenyl]acrylic acid Formula: C22H17NO8S MolecularWeight: 455.43728

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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)C=CC(=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)/C=C/C(=O)O

InChI

InChI=1S/C22H17NO8S/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/h2-14H,1H3,(H,24,25)/b13-4+