(4-nitrophenyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (4-nitrophenyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (4-nitrophenyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (4-nitrophenyl) ester Formula: C14H10N2O6S MolecularWeight: 334.304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O6S/c1-23-13-7-2-9(8-12(13)16(20)21)14(17)22-11-5-3-10(4-6-11)15(18)19/h2-8H,1H3