butyl 2-(2,4-dinitrophenyl)sulfinylethanoate

Systemtic Name: butyl 2-(2,4-dinitrophenyl)sulfinylethanoate Openeye Name: butyl 2-(2,4-dinitrophenyl)sulfinylacetate CAS Name: 2-(2,4-dinitrophenyl)sulfinylacetic acid butyl ester IUPAC Name: butyl 2-(2,4-dinitrophenyl)sulfinylacetate Traditional Name: 2-(2,4-dinitrophenyl)sulfinylacetic acid butyl ester Formula: C12H14N2O7S MolecularWeight: 330.31376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CS(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CS(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O7S/c1-2-3-6-21-12(15)8-22(20)11-5-4-9(13(16)17)7-10(11)14(18)19/h4-5,7H,2-3,6,8H2,1H3