[4-(4-chloranylbutanoyloxy)-3-nitro-phenyl]methanesulfinic acid

Systemtic Name: [4-(4-chloranylbutanoyloxy)-3-nitro-phenyl]methanesulfinic acid Openeye Name: [4-(4-chlorobutanoyloxy)-3-nitro-phenyl]methanesulfinic acid CAS Name: [4-(4-chloro-1-oxobutoxy)-3-nitrophenyl]methanesulfinic acid IUPAC Name: [4-(4-chlorobutanoyloxy)-3-nitrophenyl]methanesulfinic acid Traditional Name: [4-(4-chlorobutanoyloxy)-3-nitro-phenyl]methanesulfinic acid Formula: C11H12ClNO6S MolecularWeight: 321.73408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CS(=O)O)[N+](=O)[O-])OC(=O)CCCCl

Isomeric SMILES

C1=CC(=C(C=C1CS(=O)O)[N+](=O)[O-])OC(=O)CCCCl

InChI

InChI=1S/C11H12ClNO6S/c12-5-1-2-11(14)19-10-4-3-8(7-20(17)18)6-9(10)13(15)16/h3-4,6H,1-2,5,7H2,(H,17,18)