8'-methylspiro[1,3-dithiolane-2,3'-8-azabicyclo[3.2.1]octane]; 2,4,6-trinitrophenol

Systemtic Name: 8'-methylspiro[1,3-dithiolane-2,3'-8-azabicyclo[3.2.1]octane]; 2,4,6-trinitrophenol Openeye Name: 8'-methylspiro[1,3-dithiolane-2,3'-8-azabicyclo[3.2.1]octane]; picric acid CAS Name: 8'-methylspiro[1,3-dithiolane-2,3'-8-azabicyclo[3.2.1]octane]; 2,4,6-trinitrophenol IUPAC Name: 8'-methylspiro[1,3-dithiolane-2,3'-8-azabicyclo[3.2.1]octane]; 2,4,6-trinitrophenol Traditional Name: 8'-methylspiro[1,3-dithiolane-2,3'-8-azabicyclo[3.2.1]octane]; picric acid Formula: C16H20N4O7S2 MolecularWeight: 444.4826

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC3(C2)SCCS3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2CCC1CC3(C2)SCCS3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H17NS2.C6H3N3O7/c1-11-8-2-3-9(11)7-10(6-8)12-4-5-13-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9H,2-7H2,1H3;1-2,10H