N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)propan-1-amine; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)propan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)propan-1-amine; 2,4,6-trinitrobenzenesulfonic acid CAS Name: N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)-1-propanamine; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: N-methyl-2-methylsulfonyl-N-(2-methylsulfonylpropyl)propan-1-amine; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: bis(2-mesylpropyl)-methyl-amine; 2,4,6-trinitrobesylic acid Formula: C15H24N4O13S3 MolecularWeight: 564.56506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21NO4S2.C6H3N3O9S/c1-8(15(4,11)12)6-10(3)7-9(2)16(5,13)14;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h8-9H,6-7H2,1-5H3;1-2H,(H,16,17,18)