3-nitro-1-(4-octylphenyl)propane-1,2-diol

Systemtic Name: 3-nitro-1-(4-octylphenyl)propane-1,2-diol Openeye Name: 3-nitro-1-(4-octylphenyl)propane-1,2-diol CAS Name: 3-nitro-1-(4-octylphenyl)propane-1,2-diol IUPAC Name: 3-nitro-1-(4-octylphenyl)propane-1,2-diol Traditional Name: 3-nitro-1-(4-octylphenyl)propane-1,2-diol Formula: C17H27NO4 MolecularWeight: 309.40058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C(C[N+](=O)[O-])O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C(C[N+](=O)[O-])O)O

InChI

InChI=1S/C17H27NO4/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)17(20)16(19)13-18(21)22/h9-12,16-17,19-20H,2-8,13H2,1H3