methyl 4-[3-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-phenyl]benzoate

Systemtic Name: methyl 4-[3-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-phenyl]benzoate Openeye Name: methyl 4-[3-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-phenyl]benzoate CAS Name: 4-[3-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynylphenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynylphenyl]benzoate Traditional Name: 4-[3-butyl-5-(diphenylphosphorylmethyl)-2-hex-1-ynyl-phenyl]benzoic acid methyl ester Formula: C37H39O3P MolecularWeight: 562.677521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C37H39O3P/c1-4-6-8-15-21-35-32(16-7-5-2)26-29(27-36(35)30-22-24-31(25-23-30)37(38)40-3)28-41(39,33-17-11-9-12-18-33)34-19-13-10-14-20-34/h9-14,17-20,22-27H,4-8,16,28H2,1-3H3