2,5-diethoxy-4-sulfanyl-benzenediazonium; methylbenzene; tetrafluoroborate

Systemtic Name: 2,5-diethoxy-4-sulfanyl-benzenediazonium; methylbenzene; tetrafluoroborate Openeye Name: 2,5-diethoxy-4-sulfanyl-benzenediazonium; toluene; tetrafluoroborate CAS Name: 2,5-diethoxy-4-mercaptobenzenediazonium; toluene; tetrafluoroborate IUPAC Name: 2,5-diethoxy-4-sulfanylbenzenediazonium; toluene; tetrafluoroborate Traditional Name: 2,5-diethoxy-4-mercapto-benzenediazonium; toluene; tetrafluoroborate Formula: C17H21BF4N2O2S MolecularWeight: 404.230453

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC1=CC(=C(C=C1[N+]#N)OCC)S.CC1=CC=CC=C1

Isomeric SMILES

[B-](F)(F)(F)F.CCOC1=CC(=C(C=C1[N+]#N)OCC)S.CC1=CC=CC=C1

InChI

InChI=1S/C10H12N2O2S.C7H8.BF4/c1-3-13-8-6-10(15)9(14-4-2)5-7(8)12-11;1-7-5-3-2-4-6-7;2-1(3,4)5/h5-6H,3-4H2,1-2H3;2-6H,1H3;/q;;-1/p+1