1-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2-nitro-ethanol

Systemtic Name: 1-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2-nitro-ethanol Openeye Name: 1-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2-nitro-ethanol CAS Name: 1-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2-nitroethanol IUPAC Name: 1-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2-nitroethanol Traditional Name: 1-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-2-nitro-ethanol Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(C[N+](=O)[O-])O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(O[C@H]([C@@H](O1)C(C[N+](=O)[O-])O)C2=CC=CC=C2)C

InChI

InChI=1S/C13H17NO5/c1-13(2)18-11(9-6-4-3-5-7-9)12(19-13)10(15)8-14(16)17/h3-7,10-12,15H,8H2,1-2H3/t10?,11-,12-/m0/s1