2-(2,5-dibutoxy-4-methyl-phenyl)sulfanylbenzenediazonium hexafluorophosphate

Systemtic Name: 2-(2,5-dibutoxy-4-methyl-phenyl)sulfanylbenzenediazonium hexafluorophosphate Openeye Name: 2-(2,5-dibutoxy-4-methyl-phenyl)sulfanylbenzenediazonium hexafluorophosphate CAS Name: 2-[(2,5-dibutoxy-4-methylphenyl)thio]benzenediazonium hexafluorophosphate IUPAC Name: 2-(2,5-dibutoxy-4-methylphenyl)sulfanylbenzenediazonium hexafluorophosphate Traditional Name: 2-[(2,5-dibutoxy-4-methyl-phenyl)thio]benzenediazonium hexafluorophosphate Formula: C21H27F6N2O2PS MolecularWeight: 516.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1C)OCCCC)SC2=CC=CC=C2[N+]#N.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCOC1=CC(=C(C=C1C)OCCCC)SC2=CC=CC=C2[N+]#N.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C21H27N2O2S.F6P/c1-4-6-12-24-18-15-21(19(14-16(18)3)25-13-7-5-2)26-20-11-9-8-10-17(20)23-22;1-7(2,3,4,5)6/h8-11,14-15H,4-7,12-13H2,1-3H3;/q+1;-1