(1R,2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)hexan-1-ol

Systemtic Name: (1R,2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)hexan-1-ol Openeye Name: (1R,2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)hexan-1-ol CAS Name: (1R,2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)-1-hexanol IUPAC Name: (1R,2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)hexan-1-ol Traditional Name: (1R,2R)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-nitrophenyl)hexan-1-ol Formula: C18H27NO5 MolecularWeight: 337.41068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1OCC(CO1)(C)C)C(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCC[C@@H](C1OCC(CO1)(C)C)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H27NO5/c1-4-5-6-15(17-23-11-18(2,3)12-24-17)16(20)13-7-9-14(10-8-13)19(21)22/h7-10,15-17,20H,4-6,11-12H2,1-3H3/t15-,16+/m1/s1