2-methoxy-N,N-dimethyl-3-propan-2-yl-cyclohexan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: 2-methoxy-N,N-dimethyl-3-propan-2-yl-cyclohexan-1-amine; 2,4,6-trinitrophenol Openeye Name: 3-isopropyl-2-methoxy-N,N-dimethyl-cyclohexanamine; picric acid CAS Name: 2-methoxy-N,N-dimethyl-3-propan-2-yl-1-cyclohexanamine; 2,4,6-trinitrophenol IUPAC Name: 2-methoxy-N,N-dimethyl-3-propan-2-ylcyclohexan-1-amine; 2,4,6-trinitrophenol Traditional Name: (3-isopropyl-2-methoxy-cyclohexyl)-dimethyl-amine; picric acid Formula: C18H28N4O8 MolecularWeight: 428.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCCC(C1OC)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1CCCC(C1OC)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H25NO.C6H3N3O7/c1-9(2)10-7-6-8-11(13(3)4)12(10)14-5;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-12H,6-8H2,1-5H3;1-2,10H