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2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoate

2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoate

Systemtic Name:2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-3,5-dinitro-benzoate
Openeye Name:2-(2-methoxy-2-oxo-ethyl)sulfanyl-3,5-dinitro-benzoate
CAS Name:2-[(2-methoxy-2-oxoethyl)thio]-3,5-dinitrobenzoate
IUPAC Name:2-(2-methoxy-2-oxoethyl)sulfanyl-3,5-dinitrobenzoate
Traditional Name:2-[(2-keto-2-methoxy-ethyl)thio]-3,5-dinitro-benzoate
Formula: C10H7N2O8S-
MolecularWeight: 315.23618
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C10H8N2O8S/c1-20-8(13)4-21-9-6(10(14)15)2-5(11(16)17)3-7(9)12(18)19/h2-3H,4H2,1H3,(H,14,15)/p-1


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