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methyl 4-(methylsulfinylmethyl)-3-nitro-benzoate

methyl 4-(methylsulfinylmethyl)-3-nitro-benzoate

Systemtic Name:methyl 4-(methylsulfinylmethyl)-3-nitro-benzoate
Openeye Name:methyl 4-(methylsulfinylmethyl)-3-nitro-benzoate
CAS Name:4-(methylsulfinylmethyl)-3-nitrobenzoic acid methyl ester
IUPAC Name:methyl 4-(methylsulfinylmethyl)-3-nitrobenzoate
Traditional Name:4-(methylsulfinylmethyl)-3-nitro-benzoic acid methyl ester
Formula: C10H11NO5S
MolecularWeight: 257.26304
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)CS(=O)C)[N+](=O)[O-]


Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)CS(=O)C)[N+](=O)[O-]


InChI

InChI=1S/C10H11NO5S/c1-16-10(12)7-3-4-8(6-17(2)15)9(5-7)11(13)14/h3-5H,6H2,1-2H3


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