2-[5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylthiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonylthiophen-2-yl]ethanoic acid Openeye Name: 2-[5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-2-thienyl]acetic acid CAS Name: 2-[5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonyl-2-thiophenyl]acetic acid IUPAC Name: 2-[5-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylthiophen-2-yl]acetic acid Traditional Name: 2-[5-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-2-thienyl]acetic acid Formula: C19H15NO8S2 MolecularWeight: 449.4543

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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(S3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(S3)CC(=O)O

InChI

InChI=1S/C19H15NO8S2/c1-27-14-5-2-12(3-6-14)16-10-13(20(23)24)4-8-17(16)28-30(25,26)19-9-7-15(29-19)11-18(21)22/h2-10H,11H2,1H3,(H,21,22)