3-methylbutyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate

Systemtic Name: 3-methylbutyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate Openeye Name: isopentyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate CAS Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate Traditional Name: 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid isoamyl ester Formula: C14H19NO7S2 MolecularWeight: 377.43316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO7S2/c1-10(2)6-7-22-14(16)9-23(19)13-5-4-11(24(3,20)21)8-12(13)15(17)18/h4-5,8,10H,6-7,9H2,1-3H3