3-[6-(5-nitro-2-phenyl-phenoxy)hexoxy]propane-1,2-diol

Systemtic Name: 3-[6-(5-nitro-2-phenyl-phenoxy)hexoxy]propane-1,2-diol Openeye Name: 3-[6-(5-nitro-2-phenyl-phenoxy)hexoxy]propane-1,2-diol CAS Name: 3-[6-(5-nitro-2-phenylphenoxy)hexoxy]propane-1,2-diol IUPAC Name: 3-[6-(5-nitro-2-phenylphenoxy)hexoxy]propane-1,2-diol Traditional Name: 3-[6-(5-nitro-2-phenyl-phenoxy)hexoxy]propane-1,2-diol Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])OCCCCCCOCC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])OCCCCCCOCC(CO)O

InChI

InChI=1S/C21H27NO6/c23-15-19(24)16-27-12-6-1-2-7-13-28-21-14-18(22(25)26)10-11-20(21)17-8-4-3-5-9-17/h3-5,8-11,14,19,23-24H,1-2,6-7,12-13,15-16H2