5-(1,2-dithiolan-3-yl)-2,3,4-trinitrooxy-pentanoic acid

Systemtic Name: 5-(1,2-dithiolan-3-yl)-2,3,4-trinitrooxy-pentanoic acid Openeye Name: 5-(dithiolan-3-yl)-2,3,4-trinitrooxy-pentanoic acid CAS Name: 5-(3-dithiolanyl)-2,3,4-trinitrooxypentanoic acid IUPAC Name: 5-(dithiolan-3-yl)-2,3,4-trinitrooxypentanoic acid Traditional Name: 5-(dithiolan-3-yl)-2,3,4-trinitrooxy-valeric acid Formula: C8H11N3O11S2 MolecularWeight: 389.31644

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CC(C(C(C(=O)O)O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1CSSC1CC(C(C(C(=O)O)O[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O11S2/c12-8(13)7(22-11(18)19)6(21-10(16)17)5(20-9(14)15)3-4-1-2-23-24-4/h4-7H,1-3H2,(H,12,13)