(E)-4-(4-butylsulfanyl-3-nitro-phenyl)but-3-en-2-one

Systemtic Name: (E)-4-(4-butylsulfanyl-3-nitro-phenyl)but-3-en-2-one Openeye Name: (E)-4-(4-butylsulfanyl-3-nitro-phenyl)but-3-en-2-one CAS Name: (E)-4-[4-(butylthio)-3-nitrophenyl]-3-buten-2-one IUPAC Name: (E)-4-(4-butylsulfanyl-3-nitrophenyl)but-3-en-2-one Traditional Name: (E)-4-[4-(butylthio)-3-nitro-phenyl]but-3-en-2-one Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S/c1-3-4-9-19-14-8-7-12(6-5-11(2)16)10-13(14)15(17)18/h5-8,10H,3-4,9H2,1-2H3/b6-5+