[4-oxidanylidene-2-(4-propan-2-ylphenyl)chromen-3-yl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: [4-oxidanylidene-2-(4-propan-2-ylphenyl)chromen-3-yl]azanium; 2,4,6-trinitrophenolate Openeye Name: [2-(4-isopropylphenyl)-4-oxo-chromen-3-yl]ammonium; 2,4,6-trinitrophenolate CAS Name: [4-oxo-2-(4-propan-2-ylphenyl)-1-benzopyran-3-yl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: [4-oxo-2-(4-propan-2-ylphenyl)chromen-3-yl]azanium; 2,4,6-trinitrophenolate Traditional Name: (4-keto-2-p-cumenyl-chromen-3-yl)ammonium picrate Formula: C24H20N4O9 MolecularWeight: 508.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17NO2.C6H3N3O7/c1-11(2)12-7-9-13(10-8-12)18-16(19)17(20)14-5-3-4-6-15(14)21-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-11H,19H2,1-2H3;1-2,10H