5-(2,3-dinitrooxypropyl)-2-sulfanyl-benzoic acid

Systemtic Name: 5-(2,3-dinitrooxypropyl)-2-sulfanyl-benzoic acid Openeye Name: 5-(2,3-dinitrooxypropyl)-2-sulfanyl-benzoic acid CAS Name: 5-(2,3-dinitrooxypropyl)-2-mercaptobenzoic acid IUPAC Name: 5-(2,3-dinitrooxypropyl)-2-sulfanylbenzoic acid Traditional Name: 5-(2,3-dinitrooxypropyl)-2-mercapto-benzoic acid Formula: C10H10N2O8S MolecularWeight: 318.26

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O)S

Isomeric SMILES

C1=CC(=C(C=C1CC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)O)S

InChI

InChI=1S/C10H10N2O8S/c13-10(14)8-4-6(1-2-9(8)21)3-7(20-12(17)18)5-19-11(15)16/h1-2,4,7,21H,3,5H2,(H,13,14)