(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2,4-dinitrobenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2,4-dinitrobenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C13H8N2O7S MolecularWeight: 336.27682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O7S/c16-11(12-2-1-5-23-12)7-22-13(17)9-4-3-8(14(18)19)6-10(9)15(20)21/h1-6H,7H2