1,3-dimethoxy-5-methylsulfanyl-2-[(E)-2-nitroprop-1-enyl]benzene

Systemtic Name: 1,3-dimethoxy-5-methylsulfanyl-2-[(E)-2-nitroprop-1-enyl]benzene Openeye Name: 1,3-dimethoxy-5-methylsulfanyl-2-[(E)-2-nitroprop-1-enyl]benzene CAS Name: 1,3-dimethoxy-5-(methylthio)-2-[(E)-2-nitroprop-1-enyl]benzene IUPAC Name: 1,3-dimethoxy-5-methylsulfanyl-2-[(E)-2-nitroprop-1-enyl]benzene Traditional Name: 1,3-dimethoxy-5-(methylthio)-2-[(E)-2-nitroprop-1-enyl]benzene Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=C(C=C1OC)SC)OC)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=C(C=C(C=C1OC)SC)OC)/[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4S/c1-8(13(14)15)5-10-11(16-2)6-9(18-4)7-12(10)17-3/h5-7H,1-4H3/b8-5+