4-methoxy-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid Openeye Name: 4-methoxy-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid CAS Name: 4-methoxy-3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid IUPAC Name: 4-methoxy-3-[2-(4-methoxyphenyl)-4-nitrophenoxy]sulfonylbenzoic acid Traditional Name: 4-methoxy-3-[2-(4-methoxyphenyl)-4-nitro-phenoxy]sulfonyl-benzoic acid Formula: C21H17NO9S MolecularWeight: 459.42598

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO9S/c1-29-16-7-3-13(4-8-16)17-12-15(22(25)26)6-10-18(17)31-32(27,28)20-11-14(21(23)24)5-9-19(20)30-2/h3-12H,1-2H3,(H,23,24)