2-(diethylamino)-1-phenanthren-9-yl-ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-(diethylamino)-1-phenanthren-9-yl-ethanol; 2,4,6-trinitrophenol Openeye Name: 2-(diethylamino)-1-(9-phenanthryl)ethanol; picric acid CAS Name: 2-(diethylamino)-1-(9-phenanthrenyl)ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-(diethylamino)-1-phenanthren-9-ylethanol; 2,4,6-trinitrophenol Traditional Name: 2-(diethylamino)-1-(9-phenanthryl)ethanol; picric acid Formula: C26H26N4O8 MolecularWeight: 522.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C1=CC2=CC=CC=C2C3=CC=CC=C31)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC(C1=CC2=CC=CC=C2C3=CC=CC=C31)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H23NO.C6H3N3O7/c1-3-21(4-2)14-20(22)19-13-15-9-5-6-10-16(15)17-11-7-8-12-18(17)19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-13,20,22H,3-4,14H2,1-2H3;1-2,10H