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

Systemtic Name: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]-5-pentylsulfanyl-benzene Openeye Name: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]-5-pentylsulfanyl-benzene CAS Name: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]-5-(pentylthio)benzene IUPAC Name: 1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]-5-pentylsulfanylbenzene Traditional Name: 1-(amylthio)-2,5-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)OC)C=C(C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)OC)/C=C(\C)/[N+](=O)[O-])OC

InChI

InChI=1S/C16H23NO4S/c1-5-6-7-8-22-16-11-14(20-3)13(10-15(16)21-4)9-12(2)17(18)19/h9-11H,5-8H2,1-4H3/b12-9+