(3-nitro-4-propanoyloxy-phenyl)methanesulfinic acid

Systemtic Name: (3-nitro-4-propanoyloxy-phenyl)methanesulfinic acid Openeye Name: (3-nitro-4-propanoyloxy-phenyl)methanesulfinic acid CAS Name: [3-nitro-4-(1-oxopropoxy)phenyl]methanesulfinic acid IUPAC Name: (3-nitro-4-propanoyloxyphenyl)methanesulfinic acid Traditional Name: (3-nitro-4-propionyloxy-phenyl)methanesulfinic acid Formula: C10H11NO6S MolecularWeight: 273.26244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=C(C=C1)CS(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=C(C=C(C=C1)CS(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO6S/c1-2-10(12)17-9-4-3-7(6-18(15)16)5-8(9)11(13)14/h3-5H,2,6H2,1H3,(H,15,16)