2-[2-(4-nitro-2-prop-2-enyl-phenyl)carbonylsulfanylethyl]benzenediazonium tetrafluoroborate

Systemtic Name: 2-[2-(4-nitro-2-prop-2-enyl-phenyl)carbonylsulfanylethyl]benzenediazonium tetrafluoroborate Openeye Name: 2-[2-(2-allyl-4-nitro-benzoyl)sulfanylethyl]benzenediazonium tetrafluoroborate CAS Name: 2-[2-[[(4-nitro-2-prop-2-enylphenyl)-oxomethyl]thio]ethyl]benzenediazonium tetrafluoroborate IUPAC Name: 2-[2-(4-nitro-2-prop-2-enylbenzoyl)sulfanylethyl]benzenediazonium tetrafluoroborate Traditional Name: 2-[2-[(2-allyl-4-nitro-benzoyl)thio]ethyl]benzenediazonium tetrafluoroborate Formula: C18H16BF4N3O3S MolecularWeight: 441.207553

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C=CCC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)SCCC2=CC=CC=C2[N+]#N

Isomeric SMILES

[B-](F)(F)(F)F.C=CCC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)SCCC2=CC=CC=C2[N+]#N

InChI

InChI=1S/C18H16N3O3S.BF4/c1-2-5-14-12-15(21(23)24)8-9-16(14)18(22)25-11-10-13-6-3-4-7-17(13)20-19;2-1(3,4)5/h2-4,6-9,12H,1,5,10-11H2;/q+1;-1