2-acetyloxy-5-(4-nitrooxybutanoyloxy)benzoic acid

Systemtic Name: 2-acetyloxy-5-(4-nitrooxybutanoyloxy)benzoic acid Openeye Name: 2-acetoxy-5-(4-nitrooxybutanoyloxy)benzoic acid CAS Name: 2-acetyloxy-5-(4-nitrooxy-1-oxobutoxy)benzoic acid IUPAC Name: 2-acetyloxy-5-(4-nitrooxybutanoyloxy)benzoic acid Traditional Name: 2-acetoxy-5-(4-nitrooxybutanoyloxy)benzoic acid Formula: C13H13NO9 MolecularWeight: 327.24362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO9/c1-8(15)22-11-5-4-9(7-10(11)13(17)18)23-12(16)3-2-6-21-14(19)20/h4-5,7H,2-3,6H2,1H3,(H,17,18)