2-(3-methylbutyl)-4-nitro-benzenesulfinate

Systemtic Name: 2-(3-methylbutyl)-4-nitro-benzenesulfinate Openeye Name: 2-isopentyl-4-nitro-benzenesulfinate CAS Name: 2-(3-methylbutyl)-4-nitrobenzenesulfinate IUPAC Name: 2-(3-methylbutyl)-4-nitrobenzenesulfinate Traditional Name: 2-isoamyl-4-nitro-benzenesulfinate Formula: C11H14NO4S- MolecularWeight: 256.29816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)[O-]

Isomeric SMILES

CC(C)CCC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)[O-]

InChI

InChI=1S/C11H15NO4S/c1-8(2)3-4-9-7-10(12(13)14)5-6-11(9)17(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)/p-1