oxolan-2-ylmethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: oxolan-2-ylmethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid tetrahydrofurfuryl ester Formula: C14H17NO8S2 MolecularWeight: 391.41668

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2CCCO2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC2CCCO2)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO8S2/c1-25(20,21)11-4-5-13(12(7-11)15(17)18)24(19)9-14(16)23-8-10-3-2-6-22-10/h4-5,7,10H,2-3,6,8-9H2,1H3