2-cyanoethyl 2-(2,4-dinitrophenyl)sulfanylethanoate

Systemtic Name: 2-cyanoethyl 2-(2,4-dinitrophenyl)sulfanylethanoate Openeye Name: 2-cyanoethyl 2-(2,4-dinitrophenyl)sulfanylacetate CAS Name: 2-[(2,4-dinitrophenyl)thio]acetic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2-(2,4-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2,4-dinitrophenyl)thio]acetic acid 2-cyanoethyl ester Formula: C11H9N3O6S MolecularWeight: 311.27066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)OCCC#N

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)OCCC#N

InChI

InChI=1S/C11H9N3O6S/c12-4-1-5-20-11(15)7-21-10-3-2-8(13(16)17)6-9(10)14(18)19/h2-3,6H,1,5,7H2