3-methylbutyl 2-(2,4-dinitrophenyl)sulfinylethanoate

Systemtic Name: 3-methylbutyl 2-(2,4-dinitrophenyl)sulfinylethanoate Openeye Name: isopentyl 2-(2,4-dinitrophenyl)sulfinylacetate CAS Name: 2-(2,4-dinitrophenyl)sulfinylacetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(2,4-dinitrophenyl)sulfinylacetate Traditional Name: 2-(2,4-dinitrophenyl)sulfinylacetic acid isoamyl ester Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O7S/c1-9(2)5-6-22-13(16)8-23(21)12-4-3-10(14(17)18)7-11(12)15(19)20/h3-4,7,9H,5-6,8H2,1-2H3