methyl 4-(4-nitro-2-thiophen-2-yl-phenoxy)sulfonylbenzoate

Systemtic Name: methyl 4-(4-nitro-2-thiophen-2-yl-phenoxy)sulfonylbenzoate Openeye Name: methyl 4-[4-nitro-2-(2-thienyl)phenoxy]sulfonylbenzoate CAS Name: 4-(4-nitro-2-thiophen-2-ylphenoxy)sulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-(4-nitro-2-thiophen-2-ylphenoxy)sulfonylbenzoate Traditional Name: 4-[4-nitro-2-(2-thienyl)phenoxy]sulfonylbenzoic acid methyl ester Formula: C18H13NO7S2 MolecularWeight: 419.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H13NO7S2/c1-25-18(20)12-4-7-14(8-5-12)28(23,24)26-16-9-6-13(19(21)22)11-15(16)17-3-2-10-27-17/h2-11H,1H3