propan-2-yl 2-(4-methylsulfinyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: propan-2-yl 2-(4-methylsulfinyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: isopropyl 2-(4-methylsulfinyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfinyl-2-nitrophenyl)sulfinylacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(4-methylsulfinyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-methylsulfinyl-2-nitro-phenyl)sulfinylacetic acid isopropyl ester Formula: C12H15NO6S2 MolecularWeight: 333.3806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CS(=O)C1=C(C=C(C=C1)S(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CS(=O)C1=C(C=C(C=C1)S(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO6S2/c1-8(2)19-12(14)7-21(18)11-5-4-9(20(3)17)6-10(11)13(15)16/h4-6,8H,7H2,1-3H3