6-methylsulfonyl-2,6-dinitro-N,N-dipropyl-cyclohexa-2,4-dien-1-amine

Systemtic Name: 6-methylsulfonyl-2,6-dinitro-N,N-dipropyl-cyclohexa-2,4-dien-1-amine Openeye Name: 6-methylsulfonyl-2,6-dinitro-N,N-dipropyl-cyclohexa-2,4-dien-1-amine CAS Name: 6-methylsulfonyl-2,6-dinitro-N,N-dipropyl-1-cyclohexa-2,4-dienamine IUPAC Name: 6-methylsulfonyl-2,6-dinitro-N,N-dipropylcyclohexa-2,4-dien-1-amine Traditional Name: (6-mesyl-2,6-dinitro-cyclohexa-2,4-dien-1-yl)-dipropyl-amine Formula: C13H21N3O6S MolecularWeight: 347.38734

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1C(=CC=CC1([N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1C(=CC=CC1([N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O6S/c1-4-9-14(10-5-2)12-11(15(17)18)7-6-8-13(12,16(19)20)23(3,21)22/h6-8,12H,4-5,9-10H2,1-3H3