benzenediazonium; 1,4-dibutoxy-2-methyl-5-phenylsulfanyl-benzene; hexafluorophosphate

Systemtic Name: benzenediazonium; 1,4-dibutoxy-2-methyl-5-phenylsulfanyl-benzene; hexafluorophosphate Openeye Name: benzenediazonium; 1,4-dibutoxy-2-methyl-5-phenylsulfanyl-benzene; hexafluorophosphate CAS Name: benzenediazonium; 1,4-dibutoxy-2-methyl-5-(phenylthio)benzene; hexafluorophosphate IUPAC Name: benzenediazonium; 1,4-dibutoxy-2-methyl-5-phenylsulfanylbenzene; hexafluorophosphate Traditional Name: benzenediazonium; 1,4-dibutoxy-2-methyl-5-(phenylthio)benzene; hexafluorophosphate Formula: C27H33F6N2O2PS MolecularWeight: 594.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1C)OCCCC)SC2=CC=CC=C2.C1=CC=C(C=C1)[N+]#N.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCCOC1=CC(=C(C=C1C)OCCCC)SC2=CC=CC=C2.C1=CC=C(C=C1)[N+]#N.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C21H28O2S.C6H5N2.F6P/c1-4-6-13-22-19-16-21(24-18-11-9-8-10-12-18)20(15-17(19)3)23-14-7-5-2;7-8-6-4-2-1-3-5-6;1-7(2,3,4,5)6/h8-12,15-16H,4-7,13-14H2,1-3H3;1-5H;/q;+1;-1