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

Systemtic Name: (3Z,5Z)-3,5-bis[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]thian-4-one Openeye Name: (3Z,5Z)-3,5-bis[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]tetrahydrothiopyran-4-one CAS Name: (3Z,5Z)-3,5-bis[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-thianone IUPAC Name: (3Z,5Z)-3,5-bis[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]thian-4-one Traditional Name: (3Z,5Z)-3,5-bis(4-hydroxy-3-methoxy-5-nitro-benzylidene)tetrahydrothiopyran-4-one Formula: C21H18N2O9S MolecularWeight: 474.44062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2CSCC(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C2=O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])/CSC2

InChI

InChI=1S/C21H18N2O9S/c1-31-17-7-11(5-15(20(17)25)22(27)28)3-13-9-33-10-14(19(13)24)4-12-6-16(23(29)30)21(26)18(8-12)32-2/h3-8,25-26H,9-10H2,1-2H3/b13-3+,14-4+