ethyl 2-[(3-nitrooxy-2-oxidanyl-propyl)disulfanyl]benzoate

Systemtic Name: ethyl 2-[(3-nitrooxy-2-oxidanyl-propyl)disulfanyl]benzoate Openeye Name: ethyl 2-[(2-hydroxy-3-nitrooxy-propyl)disulfanyl]benzoate CAS Name: 2-[(2-hydroxy-3-nitrooxypropyl)disulfanyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-hydroxy-3-nitrooxypropyl)disulfanyl]benzoate Traditional Name: 2-[(2-hydroxy-3-nitrooxy-propyl)disulfanyl]benzoic acid ethyl ester Formula: C12H15NO6S2 MolecularWeight: 333.3806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1SSCC(CO[N+](=O)[O-])O

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1SSCC(CO[N+](=O)[O-])O

InChI

InChI=1S/C12H15NO6S2/c1-2-18-12(15)10-5-3-4-6-11(10)21-20-8-9(14)7-19-13(16)17/h3-6,9,14H,2,7-8H2,1H3