3-acetyloxy-2-(2-nitrooxyethyl)-5-sulfo-benzoic acid

Systemtic Name: 3-acetyloxy-2-(2-nitrooxyethyl)-5-sulfo-benzoic acid Openeye Name: 3-acetoxy-2-(2-nitrooxyethyl)-5-sulfo-benzoic acid CAS Name: 3-acetyloxy-2-(2-nitrooxyethyl)-5-sulfobenzoic acid IUPAC Name: 3-acetyloxy-2-(2-nitrooxyethyl)-5-sulfobenzoic acid Traditional Name: 3-acetoxy-2-(2-nitrooxyethyl)-5-sulfo-benzoic acid Formula: C11H11NO10S MolecularWeight: 349.27074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO10S/c1-6(13)22-10-5-7(23(18,19)20)4-9(11(14)15)8(10)2-3-21-12(16)17/h4-5H,2-3H2,1H3,(H,14,15)(H,18,19,20)