2-[2-(2-prop-2-ynoxyphenyl)carbonylsulfanylethyl]benzenediazonium tetrafluoroborate

Systemtic Name: 2-[2-(2-prop-2-ynoxyphenyl)carbonylsulfanylethyl]benzenediazonium tetrafluoroborate Openeye Name: 2-[2-(2-prop-2-ynoxybenzoyl)sulfanylethyl]benzenediazonium tetrafluoroborate CAS Name: 2-[2-[[oxo-(2-prop-2-ynoxyphenyl)methyl]thio]ethyl]benzenediazonium tetrafluoroborate IUPAC Name: 2-[2-(2-prop-2-ynoxybenzoyl)sulfanylethyl]benzenediazonium tetrafluoroborate Traditional Name: 2-[2-[(2-propargyloxybenzoyl)thio]ethyl]benzenediazonium tetrafluoroborate Formula: C18H15BF4N2O2S MolecularWeight: 410.193513

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C#CCOC1=CC=CC=C1C(=O)SCCC2=CC=CC=C2[N+]#N

Isomeric SMILES

[B-](F)(F)(F)F.C#CCOC1=CC=CC=C1C(=O)SCCC2=CC=CC=C2[N+]#N

InChI

InChI=1S/C18H15N2O2S.BF4/c1-2-12-22-17-10-6-4-8-15(17)18(21)23-13-11-14-7-3-5-9-16(14)20-19;2-1(3,4)5/h1,3-10H,11-13H2;/q+1;-1