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butyl 2-(2,4-dinitrophenyl)sulfanylethanoate

butyl 2-(2,4-dinitrophenyl)sulfanylethanoate

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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