4,5-dihydropyrene; 2,4,6-trinitrophenol

Systemtic Name: 4,5-dihydropyrene; 2,4,6-trinitrophenol Openeye Name: 4,5-dihydropyrene; picric acid CAS Name: 4,5-dihydropyrene; 2,4,6-trinitrophenol IUPAC Name: 4,5-dihydropyrene; 2,4,6-trinitrophenol Traditional Name: 4,5-dihydropyrene; picric acid Formula: C22H15N3O7 MolecularWeight: 433.3704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C2C4=C(C=CC=C41)C=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C2C4=C(C=CC=C41)C=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12.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/h1-7,9H,8,10H2;1-2,10H