2-butyl-4-chloranyl-1,3,5-trinitro-benzene

Systemtic Name: 2-butyl-4-chloranyl-1,3,5-trinitro-benzene Openeye Name: 2-butyl-4-chloro-1,3,5-trinitro-benzene CAS Name: 2-butyl-4-chloro-1,3,5-trinitrobenzene IUPAC Name: 2-butyl-4-chloro-1,3,5-trinitrobenzene Traditional Name: 2-butyl-4-chloro-1,3,5-trinitro-benzene Formula: C10H10ClN3O6 MolecularWeight: 303.6559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H10ClN3O6/c1-2-3-4-6-7(12(15)16)5-8(13(17)18)9(11)10(6)14(19)20/h5H,2-4H2,1H3