2-methyl-5-nitro-benzenesulfonic acid; N-propan-2-ylpropan-2-amine

Systemtic Name: 2-methyl-5-nitro-benzenesulfonic acid; N-propan-2-ylpropan-2-amine Openeye Name: N-isopropylpropan-2-amine; 2-methyl-5-nitro-benzenesulfonic acid CAS Name: 2-methyl-5-nitrobenzenesulfonic acid; N-propan-2-yl-2-propanamine IUPAC Name: 2-methyl-5-nitrobenzenesulfonic acid; N-propan-2-ylpropan-2-amine Traditional Name: diisopropylamine; 2-methyl-5-nitro-besylic acid Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O.CC(C)NC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O.CC(C)NC(C)C

InChI

InChI=1S/C7H7NO5S.C6H15N/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;1-5(2)7-6(3)4/h2-4H,1H3,(H,11,12,13);5-7H,1-4H3