(Z)-2-diazonio-1-ethoxy-3-oxidanylidene-7-(phenylmethylsulfanyl)hept-1-en-1-olate

Systemtic Name: (Z)-2-diazonio-1-ethoxy-3-oxidanylidene-7-(phenylmethylsulfanyl)hept-1-en-1-olate Openeye Name: (Z)-7-benzylsulfanyl-2-diazonio-1-ethoxy-3-oxo-hept-1-en-1-olate CAS Name: (Z)-2-diazonio-1-ethoxy-3-oxo-7-(phenylmethylthio)-1-hepten-1-olate IUPAC Name: (Z)-7-benzylsulfanyl-2-diazonio-1-ethoxy-3-oxohept-1-en-1-olate Traditional Name: (Z)-7-(benzylthio)-2-diazonio-1-ethoxy-3-keto-hept-1-en-1-olate Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)CCCCSCC1=CC=CC=C1)[N+]#N)[O-]

Isomeric SMILES

CCO/C(=C(/C(=O)CCCCSCC1=CC=CC=C1)\[N+]#N)/[O-]

InChI

InChI=1S/C16H20N2O3S/c1-2-21-16(20)15(18-17)14(19)10-6-7-11-22-12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3