2,5-bis(5-nitrooxypentanoyloxy)benzenesulfonic acid

Systemtic Name: 2,5-bis(5-nitrooxypentanoyloxy)benzenesulfonic acid Openeye Name: 2,5-bis(5-nitrooxypentanoyloxy)benzenesulfonic acid CAS Name: 2,5-bis(5-nitrooxy-1-oxopentoxy)benzenesulfonic acid IUPAC Name: 2,5-bis(5-nitrooxypentanoyloxy)benzenesulfonic acid Traditional Name: 2,5-bis(5-nitrooxypentanoyloxy)besylic acid Formula: C16H20N2O13S MolecularWeight: 480.4006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)O)OC(=O)CCCCO[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OC(=O)CCCCO[N+](=O)[O-])S(=O)(=O)O)OC(=O)CCCCO[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O13S/c19-15(5-1-3-9-28-17(21)22)30-12-7-8-13(14(11-12)32(25,26)27)31-16(20)6-2-4-10-29-18(23)24/h7-8,11H,1-6,9-10H2,(H,25,26,27)