(4S,5R)-4-methoxy-5-(methoxymethyl)-4,6-dimethyl-hept-6-enenitrile oxide

Systemtic Name: (4S,5R)-4-methoxy-5-(methoxymethyl)-4,6-dimethyl-hept-6-enenitrile oxide Openeye Name: (4S,5R)-4-methoxy-5-(methoxymethyl)-4,6-dimethyl-hept-6-enenitrile oxide CAS Name: (4S,5R)-4-methoxy-5-(methoxymethyl)-4,6-dimethyl-6-heptenenitrile oxide IUPAC Name: (4S,5R)-4-methoxy-5-(methoxymethyl)-4,6-dimethylhept-6-enenitrile oxide Traditional Name: (4S,5R)-4-methoxy-5-(methoxymethyl)-4,6-dimethyl-hept-6-enenitrile oxide Formula: C12H21NO3 MolecularWeight: 227.30004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(COC)C(C)(CCC#[N+][O-])OC

Isomeric SMILES

CC(=C)[C@H](COC)[C@](C)(CCC#[N+][O-])OC

InChI

InChI=1S/C12H21NO3/c1-10(2)11(9-15-4)12(3,16-5)7-6-8-13-14/h11H,1,6-7,9H2,2-5H3/t11-,12-/m0/s1