4-methylsulfonyl-2,6-dinitro-3,5-dipropyl-aniline

Systemtic Name: 4-methylsulfonyl-2,6-dinitro-3,5-dipropyl-aniline Openeye Name: 4-methylsulfonyl-2,6-dinitro-3,5-dipropyl-aniline CAS Name: 4-methylsulfonyl-2,6-dinitro-3,5-dipropylaniline IUPAC Name: 4-methylsulfonyl-2,6-dinitro-3,5-dipropylaniline Traditional Name: (4-mesyl-2,6-dinitro-3,5-dipropyl-phenyl)amine Formula: C13H19N3O6S MolecularWeight: 345.37146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1S(=O)(=O)C)CCC)[N+](=O)[O-])N)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C(=C(C(=C1S(=O)(=O)C)CCC)[N+](=O)[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O6S/c1-4-6-8-11(15(17)18)10(14)12(16(19)20)9(7-5-2)13(8)23(3,21)22/h4-7,14H2,1-3H3