ethyl 2-(4-azanyl-2,5-dimethyl-pyrazol-3-yl)sulfanylethanoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 2-(4-azanyl-2,5-dimethyl-pyrazol-3-yl)sulfanylethanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 2-(4-amino-2,5-dimethyl-pyrazol-3-yl)sulfanylacetate; picric acid CAS Name: 2-[(4-amino-2,5-dimethyl-3-pyrazolyl)thio]acetic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 2-(4-amino-2,5-dimethylpyrazol-3-yl)sulfanylacetate; 2,4,6-trinitrophenol Traditional Name: 2-[(4-amino-2,5-dimethyl-pyrazol-3-yl)thio]acetic acid ethyl ester; picric acid Formula: C15H18N6O9S MolecularWeight: 458.40322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=NN1C)C)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C(=NN1C)C)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H15N3O2S.C6H3N3O7/c1-4-14-7(13)5-15-9-8(10)6(2)11-12(9)3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,10H2,1-3H3;1-2,10H