1-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]-4-(4-phenylmethoxyphenyl)but-3-yn-2-ol

Systemtic Name: 1-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]-4-(4-phenylmethoxyphenyl)but-3-yn-2-ol Openeye Name: 4-(4-benzyloxyphenyl)-1-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]but-3-yn-2-ol CAS Name: 1-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]-4-(4-phenylmethoxyphenyl)-3-butyn-2-ol IUPAC Name: 1-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]-4-(4-phenylmethoxyphenyl)but-3-yn-2-ol Traditional Name: 4-(4-benzoxyphenyl)-1-[(4S,6R)-2,2-dimethyl-6-tridecyl-1,3-dioxan-4-yl]but-3-yn-2-ol Formula: C36H52O4 MolecularWeight: 548.79568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CC(OC(O1)(C)C)CC(C#CC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(O1)(C)C)CC(C#CC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C36H52O4/c1-4-5-6-7-8-9-10-11-12-13-17-20-34-28-35(40-36(2,3)39-34)27-32(37)24-21-30-22-25-33(26-23-30)38-29-31-18-15-14-16-19-31/h14-16,18-19,22-23,25-26,32,34-35,37H,4-13,17,20,27-29H2,1-3H3/t32?,34-,35+/m1/s1