6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl 2-chloranylpropanoate

Systemtic Name: 6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl 2-chloranylpropanoate Openeye Name: [5-[4-(4-decoxyphenyl)phenyl]-1-methyl-pent-4-ynyl] 2-chloropropanoate CAS Name: 2-chloropropanoic acid 6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl ester IUPAC Name: 6-[4-(4-decoxyphenyl)phenyl]hex-5-yn-2-yl 2-chloropropanoate Traditional Name: 2-chloropropionic acid [5-[4-(4-decoxyphenyl)phenyl]-1-methyl-pent-4-ynyl] ester Formula: C31H41ClO3 MolecularWeight: 497.10844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC(C)OC(=O)C(C)Cl

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CCCC(C)OC(=O)C(C)Cl

InChI

InChI=1S/C31H41ClO3/c1-4-5-6-7-8-9-10-13-24-34-30-22-20-29(21-23-30)28-18-16-27(17-19-28)15-12-11-14-25(2)35-31(33)26(3)32/h16-23,25-26H,4-11,13-14,24H2,1-3H3