(E)-1-butoxy-2-diazonio-3-oxidanylidene-4-(phenylmethylsulfanyl)but-1-en-1-olate

Systemtic Name: (E)-1-butoxy-2-diazonio-3-oxidanylidene-4-(phenylmethylsulfanyl)but-1-en-1-olate Openeye Name: (E)-4-benzylsulfanyl-1-butoxy-2-diazonio-3-oxo-but-1-en-1-olate CAS Name: (E)-1-butoxy-2-diazonio-3-oxo-4-(phenylmethylthio)-1-buten-1-olate IUPAC Name: (E)-4-benzylsulfanyl-1-butoxy-2-diazonio-3-oxobut-1-en-1-olate Traditional Name: (E)-4-(benzylthio)-1-butoxy-2-diazonio-3-keto-but-1-en-1-olate Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=C(C(=O)CSCC1=CC=CC=C1)[N+]#N)[O-]

Isomeric SMILES

CCCCO/C(=C(\C(=O)CSCC1=CC=CC=C1)/[N+]#N)/[O-]

InChI

InChI=1S/C15H18N2O3S/c1-2-3-9-20-15(19)14(17-16)13(18)11-21-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3