methyl 5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: methyl 5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate; 2,4,6-trinitrophenol Openeye Name: methyl 5,5-dimethyl-2-phenyl-4H-thiazole-4-carboxylate; picric acid CAS Name: 5,5-dimethyl-2-phenyl-4H-thiazole-4-carboxylic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl 5,5-dimethyl-2-phenyl-4H-1,3-thiazole-4-carboxylate; 2,4,6-trinitrophenol Traditional Name: 5,5-dimethyl-2-phenyl-2-thiazoline-4-carboxylic acid methyl ester; picric acid Formula: C19H18N4O9S MolecularWeight: 478.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N=C(S1)C2=CC=CC=C2)C(=O)OC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(C(N=C(S1)C2=CC=CC=C2)C(=O)OC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H15NO2S.C6H3N3O7/c1-13(2)10(12(15)16-3)14-11(17-13)9-7-5-4-6-8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,10H,1-3H3;1-2,10H