(3Z)-3-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,1-bis(oxidanylidene)thiochromen-4-one

Systemtic Name: (3Z)-3-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,1-bis(oxidanylidene)thiochromen-4-one Openeye Name: (3Z)-3-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1,1-dioxo-thiochromen-4-one CAS Name: (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,1-dioxo-1-benzothiopyran-4-one IUPAC Name: (3Z)-3-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,1-dioxothiochromen-4-one Traditional Name: (3Z)-3-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-1,1-diketo-thiochromen-4-one Formula: C17H13NO7S MolecularWeight: 375.35262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2CS(=O)(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\CS(=O)(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H13NO7S/c1-25-14-8-10(7-13(17(14)20)18(21)22)6-11-9-26(23,24)15-5-3-2-4-12(15)16(11)19/h2-8,20H,9H2,1H3/b11-6+