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2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid

2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid

Systemtic Name:2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid
Openeye Name:2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid
CAS Name:2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid
IUPAC Name:2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid
Traditional Name:2-(2,3-dinitrooxypropyldisulfanyl)benzoic acid
Formula: C10H10N2O8S2
MolecularWeight: 350.325
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C10H10N2O8S2/c13-10(14)8-3-1-2-4-9(8)22-21-6-7(20-12(17)18)5-19-11(15)16/h1-4,7H,5-6H2,(H,13,14)


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