5-(1,2-dithiolan-3-yl)-2,3-dinitrooxy-pentanoic acid

Systemtic Name: 5-(1,2-dithiolan-3-yl)-2,3-dinitrooxy-pentanoic acid Openeye Name: 5-(dithiolan-3-yl)-2,3-dinitrooxy-pentanoic acid CAS Name: 5-(3-dithiolanyl)-2,3-dinitrooxypentanoic acid IUPAC Name: 5-(dithiolan-3-yl)-2,3-dinitrooxypentanoic acid Traditional Name: 5-(dithiolan-3-yl)-2,3-dinitrooxy-valeric acid Formula: C8H12N2O8S2 MolecularWeight: 328.31948

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCC(C(C(=O)O)O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1CSSC1CCC(C(C(=O)O)O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C8H12N2O8S2/c11-8(12)7(18-10(15)16)6(17-9(13)14)2-1-5-3-4-19-20-5/h5-7H,1-4H2,(H,11,12)