4-methylsulfonyl-2,6-dinitro-N,N-dipropyl-aniline

Systemtic Name: 4-methylsulfonyl-2,6-dinitro-N,N-dipropyl-aniline Openeye Name: 4-methylsulfonyl-2,6-dinitro-N,N-dipropyl-aniline CAS Name: 4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline IUPAC Name: 4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline Traditional Name: (4-mesyl-2,6-dinitro-phenyl)-dipropyl-amine Formula: C26H38N6O12S2 MolecularWeight: 690.74292

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-].CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-].CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/2C13H19N3O6S/c2*1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h2*8-9H,4-7H2,1-3H3