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1-[cyclohexyl(ethyl)amino]propan-2-ol; 2,4,6-trinitrophenol

1-[cyclohexyl(ethyl)amino]propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name:1-[cyclohexyl(ethyl)amino]propan-2-ol; 2,4,6-trinitrophenol
Openeye Name:1-[cyclohexyl(ethyl)amino]propan-2-ol; picric acid
CAS Name:1-[cyclohexyl(ethyl)amino]-2-propanol; 2,4,6-trinitrophenol
IUPAC Name:1-[cyclohexyl(ethyl)amino]propan-2-ol; 2,4,6-trinitrophenol
Traditional Name:1-[cyclohexyl(ethyl)amino]propan-2-ol; picric acid
Formula: C17H26N4O8
MolecularWeight: 414.41034
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C)O)C1CCCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCN(CC(C)O)C1CCCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C11H23NO.C6H3N3O7/c1-3-12(9-10(2)13)11-7-5-4-6-8-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-11,13H,3-9H2,1-2H3;1-2,10H


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