2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]ethanoic acid

Systemtic Name: 2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]ethanoic acid Openeye Name: 2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]acetic acid CAS Name: 2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]acetic acid IUPAC Name: 2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]acetic acid Traditional Name: 2-[(2S,4R)-6-(cyanomethyl)-2-methyl-1,3-dioxan-4-yl]acetic acid Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

CC1OC(CC(O1)CC(=O)O)CC#N

Isomeric SMILES

C[C@@H]1O[C@H](CC(O1)CC#N)CC(=O)O

InChI

InChI=1S/C9H13NO4/c1-6-13-7(2-3-10)4-8(14-6)5-9(11)12/h6-8H,2,4-5H2,1H3,(H,11,12)/t6-,7?,8+/m0/s1