(4S,5R,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxy-heptan-3-one

Systemtic Name: (4S,5R,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxy-heptan-3-one Openeye Name: (4S,5R,6R)-7-benzyloxy-5-(methoxymethoxy)-4,6-dimethyl-heptan-3-one CAS Name: (4S,5R,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxy-3-heptanone IUPAC Name: (4S,5R,6R)-5-(methoxymethoxy)-4,6-dimethyl-7-phenylmethoxyheptan-3-one Traditional Name: (4S,5R,6R)-7-benzoxy-5-(methoxymethoxy)-4,6-dimethyl-heptan-3-one Formula: C18H28O4 MolecularWeight: 308.41252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(C(C)COCC1=CC=CC=C1)OCOC

Isomeric SMILES

CCC(=O)[C@@H](C)[C@@H]([C@H](C)COCC1=CC=CC=C1)OCOC

InChI

InChI=1S/C18H28O4/c1-5-17(19)15(3)18(22-13-20-4)14(2)11-21-12-16-9-7-6-8-10-16/h6-10,14-15,18H,5,11-13H2,1-4H3/t14-,15-,18-/m1/s1