tert-butyl 2-(2,4-dinitrophenyl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(2,4-dinitrophenyl)sulfanylethanoate Openeye Name: tert-butyl 2-(2,4-dinitrophenyl)sulfanylacetate CAS Name: 2-[(2,4-dinitrophenyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2,4-dinitrophenyl)sulfanylacetate Traditional Name: 2-[(2,4-dinitrophenyl)thio]acetic acid tert-butyl ester Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c1-12(2,3)20-11(15)7-21-10-5-4-8(13(16)17)6-9(10)14(18)19/h4-6H,7H2,1-3H3