(E)-1-oxidanyl-3-oxidanylidene-4-phenylsulfanyl-1-prop-2-enoxy-but-1-ene-2-diazonium

Systemtic Name: (E)-1-oxidanyl-3-oxidanylidene-4-phenylsulfanyl-1-prop-2-enoxy-but-1-ene-2-diazonium Openeye Name: (E)-1-allyloxy-1-hydroxy-3-oxo-4-phenylsulfanyl-but-1-ene-2-diazonium CAS Name: (E)-1-hydroxy-3-oxo-4-(phenylthio)-1-prop-2-enoxy-1-butene-2-diazonium IUPAC Name: (E)-1-hydroxy-3-oxo-4-phenylsulfanyl-1-prop-2-enoxybut-1-ene-2-diazonium Traditional Name: (E)-1-allyloxy-1-hydroxy-3-keto-4-(phenylthio)but-1-ene-2-diazonium Formula: C13H13N2O3S+ MolecularWeight: 277.31892

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=C(C(=O)CSC1=CC=CC=C1)[N+]#N)O

Isomeric SMILES

C=CCO/C(=C(\C(=O)CSC1=CC=CC=C1)/[N+]#N)/O

InChI

InChI=1S/C13H12N2O3S/c1-2-8-18-13(17)12(15-14)11(16)9-19-10-6-4-3-5-7-10/h2-7H,1,8-9H2/p+1