1,2,3,3a,4,5-hexahydropyrene; 2,4,6-trinitrophenol

Systemtic Name: 1,2,3,3a,4,5-hexahydropyrene; 2,4,6-trinitrophenol Openeye Name: 1,2,3,3a,4,5-hexahydropyrene; picric acid CAS Name: 1,2,3,3a,4,5-hexahydropyrene; 2,4,6-trinitrophenol IUPAC Name: 1,2,3,3a,4,5-hexahydropyrene; 2,4,6-trinitrophenol Traditional Name: 1,2,3,3a,4,5-hexahydropyrene; picric acid Formula: C22H19N3O7 MolecularWeight: 437.40216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC3=CC=CC4=C3C2=C(C1)C=C4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2CCC3=CC=CC4=C3C2=C(C1)C=C4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16.C6H3N3O7/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3-4,7,9,14H,2,5-6,8,10H2;1-2,10H