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2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol; 2,4,6-trinitrophenol

2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol; 2,4,6-trinitrophenol

Systemtic Name:2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol; 2,4,6-trinitrophenol
Openeye Name:2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol; picric acid
CAS Name:2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol; 2,4,6-trinitrophenol
IUPAC Name:2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol; 2,4,6-trinitrophenol
Traditional Name:picric acid; pyrrolizidin-1-ol
Formula: C13H16N4O8
MolecularWeight: 356.28814
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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(CCN2C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

C1CC2C(CCN2C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C7H13NO.C6H3N3O7/c9-7-3-5-8-4-1-2-6(7)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7,9H,1-5H2;1-2,10H


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