5-(3-nitrooxy-2-sulfanyl-propyl)-2-sulfanyl-benzoic acid

Systemtic Name: 5-(3-nitrooxy-2-sulfanyl-propyl)-2-sulfanyl-benzoic acid Openeye Name: 5-(3-nitrooxy-2-sulfanyl-propyl)-2-sulfanyl-benzoic acid CAS Name: 2-mercapto-5-(2-mercapto-3-nitrooxypropyl)benzoic acid IUPAC Name: 5-(3-nitrooxy-2-sulfanylpropyl)-2-sulfanylbenzoic acid Traditional Name: 2-mercapto-5-(2-mercapto-3-nitrooxy-propyl)benzoic acid Formula: C10H11NO5S2 MolecularWeight: 289.32804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5S2/c12-10(13)8-4-6(1-2-9(8)18)3-7(17)5-16-11(14)15/h1-2,4,7,17-18H,3,5H2,(H,12,13)