(5-nitro-2-phenethyl-1,3-dioxan-5-yl)methanol

Systemtic Name: (5-nitro-2-phenethyl-1,3-dioxan-5-yl)methanol Openeye Name: (5-nitro-2-phenethyl-1,3-dioxan-5-yl)methanol CAS Name: (5-nitro-2-phenethyl-1,3-dioxan-5-yl)methanol IUPAC Name: (5-nitro-2-phenethyl-1,3-dioxan-5-yl)methanol Traditional Name: (5-nitro-2-phenethyl-1,3-dioxan-5-yl)methanol Formula: C13H17NO5 MolecularWeight: 267.27778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(O1)CCC2=CC=CC=C2)(CO)[N+](=O)[O-]

Isomeric SMILES

C1C(COC(O1)CCC2=CC=CC=C2)(CO)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5/c15-8-13(14(16)17)9-18-12(19-10-13)7-6-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2