(2S)-1-(4-methoxyphenoxy)octadec-4-yn-2-ol

Systemtic Name: (2S)-1-(4-methoxyphenoxy)octadec-4-yn-2-ol Openeye Name: (2S)-1-(4-methoxyphenoxy)octadec-4-yn-2-ol CAS Name: (2S)-1-(4-methoxyphenoxy)-4-octadecyn-2-ol IUPAC Name: (2S)-1-(4-methoxyphenoxy)octadec-4-yn-2-ol Traditional Name: (2S)-1-(4-methoxyphenoxy)octadec-4-yn-2-ol Formula: C25H40O3 MolecularWeight: 388.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CCC(COC1=CC=C(C=C1)OC)O

Isomeric SMILES

CCCCCCCCCCCCCC#CC[C@@H](COC1=CC=C(C=C1)OC)O

InChI

InChI=1S/C25H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)22-28-25-20-18-24(27-2)19-21-25/h18-21,23,26H,3-14,17,22H2,1-2H3/t23-/m0/s1