(4S,5R)-2,4,6-trimethoxy-5-oxidanyl-hexanenitrile

Systemtic Name: (4S,5R)-2,4,6-trimethoxy-5-oxidanyl-hexanenitrile Openeye Name: (4S,5R)-5-hydroxy-2,4,6-trimethoxy-hexanenitrile CAS Name: (4S,5R)-5-hydroxy-2,4,6-trimethoxyhexanenitrile IUPAC Name: (4S,5R)-5-hydroxy-2,4,6-trimethoxyhexanenitrile Traditional Name: (4S,5R)-5-hydroxy-2,4,6-trimethoxy-hexanenitrile Formula: C9H17NO4 MolecularWeight: 203.23558

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(CC(C#N)OC)OC)O

Isomeric SMILES

COC[C@H]([C@H](CC(C#N)OC)OC)O

InChI

InChI=1S/C9H17NO4/c1-12-6-8(11)9(14-3)4-7(5-10)13-2/h7-9,11H,4,6H2,1-3H3/t7?,8-,9+/m1/s1