1-butylsulfanyl-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene

Systemtic Name: 1-butylsulfanyl-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene Openeye Name: 1-butylsulfanyl-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene CAS Name: 1-(butylthio)-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene IUPAC Name: 1-butylsulfanyl-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene Traditional Name: 1-(butylthio)-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=C(C(=C1)OC)C=C(C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCSC1=C(C=C(C(=C1)OC)/C=C(\C)/[N+](=O)[O-])OC

InChI

InChI=1S/C15H21NO4S/c1-5-6-7-21-15-10-13(19-3)12(9-14(15)20-4)8-11(2)16(17)18/h8-10H,5-7H2,1-4H3/b11-8+