quinolin-8-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: quinolin-8-yl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: 8-quinolyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid 8-quinolyl ester Formula: C18H14N2O7S2 MolecularWeight: 434.44296

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7S2/c1-29(25,26)13-7-8-16(14(10-13)20(22)23)28(24)11-17(21)27-15-6-2-4-12-5-3-9-19-18(12)15/h2-10H,11H2,1H3