(E)-4-(3,5-dinitrothiophen-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(3,5-dinitrothiophen-2-yl)but-3-en-2-one Openeye Name: (E)-4-(3,5-dinitro-2-thienyl)but-3-en-2-one CAS Name: (E)-4-(3,5-dinitro-2-thiophenyl)-3-buten-2-one IUPAC Name: (E)-4-(3,5-dinitrothiophen-2-yl)but-3-en-2-one Traditional Name: (E)-4-(3,5-dinitro-2-thienyl)but-3-en-2-one Formula: C8H6N2O5S MolecularWeight: 242.20864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C=C/C1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O5S/c1-5(11)2-3-7-6(9(12)13)4-8(16-7)10(14)15/h2-4H,1H3/b3-2+