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2-(2,3-dinitrooxypropyldisulfanyl)ethyl benzoate

2-(2,3-dinitrooxypropyldisulfanyl)ethyl benzoate

Systemtic Name:2-(2,3-dinitrooxypropyldisulfanyl)ethyl benzoate
Openeye Name:2-(2,3-dinitrooxypropyldisulfanyl)ethyl benzoate
CAS Name:benzoic acid 2-(2,3-dinitrooxypropyldisulfanyl)ethyl ester
IUPAC Name:2-(2,3-dinitrooxypropyldisulfanyl)ethyl benzoate
Traditional Name:benzoic acid 2-(2,3-dinitrooxypropyldisulfanyl)ethyl ester
Formula: C12H14N2O8S2
MolecularWeight: 378.37816
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSSCC(CO[N+](=O)[O-])O[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSSCC(CO[N+](=O)[O-])O[N+](=O)[O-]


InChI

InChI=1S/C12H14N2O8S2/c15-12(10-4-2-1-3-5-10)20-6-7-23-24-9-11(22-14(18)19)8-21-13(16)17/h1-5,11H,6-9H2


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