N,N-dipropylcyclohex-2-en-1-amine; 2,4,6-trinitrophenol

Systemtic Name: N,N-dipropylcyclohex-2-en-1-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dipropylcyclohex-2-en-1-amine; picric acid CAS Name: N,N-dipropyl-1-cyclohex-2-enamine; 2,4,6-trinitrophenol IUPAC Name: N,N-dipropylcyclohex-2-en-1-amine; 2,4,6-trinitrophenol Traditional Name: cyclohex-2-en-1-yl(dipropyl)amine; picric acid Formula: C18H26N4O7 MolecularWeight: 410.42164

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CCCC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1CCCC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H23N.C6H3N3O7/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6,8,12H,3-5,7,9-11H2,1-2H3;1-2,10H