1,4-dimethoxy-2-[(E)-2-nitroethenyl]-5-propylsulfanyl-benzene

Systemtic Name: 1,4-dimethoxy-2-[(E)-2-nitroethenyl]-5-propylsulfanyl-benzene Openeye Name: 1,4-dimethoxy-2-[(E)-2-nitrovinyl]-5-propylsulfanyl-benzene CAS Name: 1,4-dimethoxy-2-[(E)-2-nitroethenyl]-5-(propylthio)benzene IUPAC Name: 1,4-dimethoxy-2-[(E)-2-nitroethenyl]-5-propylsulfanylbenzene Traditional Name: 1,4-dimethoxy-2-[(E)-2-nitrovinyl]-5-(propylthio)benzene Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=C(C(=C1)OC)C=C[N+](=O)[O-])OC

Isomeric SMILES

CCCSC1=C(C=C(C(=C1)OC)/C=C/[N+](=O)[O-])OC

InChI

InChI=1S/C13H17NO4S/c1-4-7-19-13-9-11(17-2)10(5-6-14(15)16)8-12(13)18-3/h5-6,8-9H,4,7H2,1-3H3/b6-5+