ethyl 3-azanyl-2-(dithiophen-2-ylmethylidene)-3-methyl-butanoate; 2,4,6-trinitrophenol

Systemtic Name: ethyl 3-azanyl-2-(dithiophen-2-ylmethylidene)-3-methyl-butanoate; 2,4,6-trinitrophenol Openeye Name: ethyl 3-amino-2-[bis(2-thienyl)methylene]-3-methyl-butanoate; picric acid CAS Name: 3-amino-2-(dithiophen-2-ylmethylidene)-3-methylbutanoic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl 3-amino-2-(dithiophen-2-ylmethylidene)-3-methylbutanoate; 2,4,6-trinitrophenol Traditional Name: 2-(1-amino-1-methyl-ethyl)-3,3-bis(2-thienyl)acrylic acid ethyl ester; picric acid Formula: C22H22N4O9S2 MolecularWeight: 550.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)C(C)(C)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)C(C)(C)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19NO2S2.C6H3N3O7/c1-4-19-15(18)14(16(2,3)17)13(11-7-5-9-20-11)12-8-6-10-21-12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-10H,4,17H2,1-3H3;1-2,10H