N-ethyl-N-(phenylmethyl)ethanamine oxide; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: N-ethyl-N-(phenylmethyl)ethanamine oxide; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: N-benzyl-N-ethyl-ethanamine oxide; 2,4,6-trinitrobenzenesulfonic acid CAS Name: N-ethyl-N-(phenylmethyl)ethanamine oxide; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: N-benzyl-N-ethylethanamine oxide; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: N-benzyl-N-ethyl-ethanamine oxide; 2,4,6-trinitrobesylic acid Formula: C17H20N4O10S MolecularWeight: 472.4265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO.C6H3N3O9S/c1-3-12(13,4-2)10-11-8-6-5-7-9-11;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h5-9H,3-4,10H2,1-2H3;1-2H,(H,16,17,18)