2-acetyloxy-5-(5-nitrooxypentanoyloxy)benzenesulfonic acid

Systemtic Name: 2-acetyloxy-5-(5-nitrooxypentanoyloxy)benzenesulfonic acid Openeye Name: 2-acetoxy-5-(5-nitrooxypentanoyloxy)benzenesulfonic acid CAS Name: 2-acetyloxy-5-(5-nitrooxy-1-oxopentoxy)benzenesulfonic acid IUPAC Name: 2-acetyloxy-5-(5-nitrooxypentanoyloxy)benzenesulfonic acid Traditional Name: 2-acetoxy-5-(5-nitrooxypentanoyloxy)besylic acid Formula: C13H15NO10S MolecularWeight: 377.3239

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C13H15NO10S/c1-9(15)23-11-6-5-10(8-12(11)25(19,20)21)24-13(16)4-2-3-7-22-14(17)18/h5-6,8H,2-4,7H2,1H3,(H,19,20,21)