(2Z)-2-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one

Systemtic Name: (2Z)-2-[(3,5-dinitro-2-oxidanyl-phenyl)methylidene]-1-benzothiophen-3-one Openeye Name: (2Z)-2-[(2-hydroxy-3,5-dinitro-phenyl)methylene]benzothiophen-3-one CAS Name: (2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-benzothiophen-3-one IUPAC Name: (2Z)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]-1-benzothiophen-3-one Traditional Name: (2Z)-2-(2-hydroxy-3,5-dinitro-benzylidene)benzothiophen-3-one Formula: C15H8N2O6S MolecularWeight: 344.29882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])S2

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)/C(=C/C3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])/S2

InChI

InChI=1S/C15H8N2O6S/c18-14-8(5-9(16(20)21)7-11(14)17(22)23)6-13-15(19)10-3-1-2-4-12(10)24-13/h1-7,18H/b13-6-