[[4-methylsulfanyl-3-(phenylmethyl)phenoxy]-phenylmethoxy-methylidene]oxidanium hexafluorophosphate

Systemtic Name: [[4-methylsulfanyl-3-(phenylmethyl)phenoxy]-phenylmethoxy-methylidene]oxidanium hexafluorophosphate Openeye Name: [(3-benzyl-4-methylsulfanyl-phenoxy)-benzyloxy-methylene]oxonium hexafluorophosphate CAS Name: [[4-(methylthio)-3-(phenylmethyl)phenoxy]-phenylmethoxymethylidene]oxonium hexafluorophosphate IUPAC Name: [(3-benzyl-4-methylsulfanylphenoxy)-phenylmethoxymethylidene]oxidanium hexafluorophosphate Traditional Name: [benzoxy-[3-benzyl-4-(methylthio)phenoxy]methylene]oxonium hexafluorophosphate Formula: C22H21F6O3PS MolecularWeight: 510.42952

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)OC(=[OH+])OCC2=CC=CC=C2)CC3=CC=CC=C3.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CSC1=C(C=C(C=C1)OC(=[OH+])OCC2=CC=CC=C2)CC3=CC=CC=C3.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C22H20O3S.F6P/c1-26-21-13-12-20(15-19(21)14-17-8-4-2-5-9-17)25-22(23)24-16-18-10-6-3-7-11-18;1-7(2,3,4,5)6/h2-13,15H,14,16H2,1H3;/q;-1/p+1