methyl 2-nitro-5-(4-sulfanylphenoxy)benzoate

Systemtic Name: methyl 2-nitro-5-(4-sulfanylphenoxy)benzoate Openeye Name: methyl 2-nitro-5-(4-sulfanylphenoxy)benzoate CAS Name: 5-(4-mercaptophenoxy)-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-nitro-5-(4-sulfanylphenoxy)benzoate Traditional Name: 5-(4-mercaptophenoxy)-2-nitro-benzoic acid methyl ester Formula: C14H11NO5S MolecularWeight: 305.30584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO5S/c1-19-14(16)12-8-10(4-7-13(12)15(17)18)20-9-2-5-11(21)6-3-9/h2-8,21H,1H3