1,4-dimethoxy-2-methylsulfanyl-5-[(E)-2-nitrobut-1-enyl]benzene

Systemtic Name: 1,4-dimethoxy-2-methylsulfanyl-5-[(E)-2-nitrobut-1-enyl]benzene Openeye Name: 1,4-dimethoxy-2-methylsulfanyl-5-[(E)-2-nitrobut-1-enyl]benzene CAS Name: 1,4-dimethoxy-2-(methylthio)-5-[(E)-2-nitrobut-1-enyl]benzene IUPAC Name: 1,4-dimethoxy-2-methylsulfanyl-5-[(E)-2-nitrobut-1-enyl]benzene Traditional Name: 1,4-dimethoxy-2-(methylthio)-5-[(E)-2-nitrobut-1-enyl]benzene Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-5-10(14(15)16)6-9-7-12(18-3)13(19-4)8-11(9)17-2/h6-8H,5H2,1-4H3/b10-6+