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

Systemtic Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-methylphenyl)benzene Openeye Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(p-tolyl)benzene CAS Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-methylphenyl)benzene IUPAC Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(4-methylphenyl)benzene Traditional Name: 1-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-3-(p-tolyl)benzene Formula: C36H39OP MolecularWeight: 518.668021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H39OP/c1-4-6-8-15-21-35-32(16-7-5-2)26-30(27-36(35)31-24-22-29(3)23-25-31)28-38(37,33-17-11-9-12-18-33)34-19-13-10-14-20-34/h9-14,17-20,22-27H,4-8,16,28H2,1-3H3