2-nitrooctadec-4-yne-1,3-diol

Systemtic Name: 2-nitrooctadec-4-yne-1,3-diol Openeye Name: 2-nitrooctadec-4-yne-1,3-diol CAS Name: 2-nitro-4-octadecyne-1,3-diol IUPAC Name: 2-nitrooctadec-4-yne-1,3-diol Traditional Name: 2-nitrooctadec-4-yne-1,3-diol Formula: C18H33NO4 MolecularWeight: 327.45892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(C(CO)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCC#CC(C(CO)[N+](=O)[O-])O

InChI

InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(16-20)19(22)23/h17-18,20-21H,2-13,16H2,1H3