[4-(4-chlorophenyl)cyclohexyl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: [4-(4-chlorophenyl)cyclohexyl]azanium; 2,4,6-trinitrophenolate Openeye Name: [4-(4-chlorophenyl)cyclohexyl]ammonium; 2,4,6-trinitrophenolate CAS Name: [4-(4-chlorophenyl)cyclohexyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: [4-(4-chlorophenyl)cyclohexyl]azanium; 2,4,6-trinitrophenolate Traditional Name: [4-(4-chlorophenyl)cyclohexyl]ammonium picrate Formula: C18H19ClN4O7 MolecularWeight: 438.81906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=C(C=C2)Cl)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1C2=CC=C(C=C2)Cl)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16ClN.C6H3N3O7/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,5-6,10,12H,3-4,7-8,14H2;1-2,10H