3-phenyl-5,6,7,8-tetrahydroisoquinoline; 2,4,6-trinitrophenol

Systemtic Name: 3-phenyl-5,6,7,8-tetrahydroisoquinoline; 2,4,6-trinitrophenol Openeye Name: 3-phenyl-5,6,7,8-tetrahydroisoquinoline; picric acid CAS Name: 3-phenyl-5,6,7,8-tetrahydroisoquinoline; 2,4,6-trinitrophenol IUPAC Name: 3-phenyl-5,6,7,8-tetrahydroisoquinoline; 2,4,6-trinitrophenol Traditional Name: 3-phenyl-5,6,7,8-tetrahydroisoquinoline; picric acid Formula: C21H18N4O7 MolecularWeight: 438.39022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=CN=C(C=C2C1)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC2=CN=C(C=C2C1)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H15N.C6H3N3O7/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-3,6-7,10-11H,4-5,8-9H2;1-2,10H