1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-methylsulfanylphenyl)benzene

Systemtic Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-methylsulfanylphenyl)benzene Openeye Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-methylsulfanylphenyl)benzene CAS Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-[4-(methylthio)phenyl]benzene IUPAC Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-methylsulfanylphenyl)benzene Traditional Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-[4-(methylthio)phenyl]benzene Formula: C36H39OPS MolecularWeight: 550.733021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C=C1C2=CC=C(C=C2)SC)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC

Isomeric SMILES

CCCCC#CC1=C(C=C(C=C1C2=CC=C(C=C2)SC)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC

InChI

InChI=1S/C36H39OPS/c1-4-6-8-15-21-35-31(16-7-5-2)26-29(27-36(35)30-22-24-34(39-3)25-23-30)28-38(37,32-17-11-9-12-18-32)33-19-13-10-14-20-33/h9-14,17-20,22-27H,4-8,16,28H2,1-3H3