ethyl 2-(3,4-dinitrooxybutyldisulfanyl)benzoate

Systemtic Name: ethyl 2-(3,4-dinitrooxybutyldisulfanyl)benzoate Openeye Name: ethyl 2-(3,4-dinitrooxybutyldisulfanyl)benzoate CAS Name: 2-(3,4-dinitrooxybutyldisulfanyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dinitrooxybutyldisulfanyl)benzoate Traditional Name: 2-(3,4-dinitrooxybutyldisulfanyl)benzoic acid ethyl ester Formula: C13H16N2O8S2 MolecularWeight: 392.40474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SSCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SSCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O8S2/c1-2-21-13(16)11-5-3-4-6-12(11)25-24-8-7-10(23-15(19)20)9-22-14(17)18/h3-6,10H,2,7-9H2,1H3