(2S,3R)-6-methyl-2,3-bis(phenylmethoxy)hept-4-ynal

Systemtic Name: (2S,3R)-6-methyl-2,3-bis(phenylmethoxy)hept-4-ynal Openeye Name: (2S,3R)-2,3-dibenzyloxy-6-methyl-hept-4-ynal CAS Name: (2S,3R)-6-methyl-2,3-bis(phenylmethoxy)-4-heptynal IUPAC Name: (2S,3R)-6-methyl-2,3-bis(phenylmethoxy)hept-4-ynal Traditional Name: (2S,3R)-2,3-dibenzoxy-6-methyl-hept-4-ynal Formula: C22H24O3 MolecularWeight: 336.42416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C#CC(C(C=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C#C[C@H]([C@@H](C=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24O3/c1-18(2)13-14-21(24-16-19-9-5-3-6-10-19)22(15-23)25-17-20-11-7-4-8-12-20/h3-12,15,18,21-22H,16-17H2,1-2H3/t21-,22-/m1/s1