2-bromanyl-2-nitro-propane-1,3-diol; 1-chloranylhexadecane; pyridin-1-ium

Systemtic Name: 2-bromanyl-2-nitro-propane-1,3-diol; 1-chloranylhexadecane; pyridin-1-ium Openeye Name: 2-bromo-2-nitro-propane-1,3-diol; 1-chlorohexadecane; pyridin-1-ium CAS Name: 2-bromo-2-nitropropane-1,3-diol; 1-chlorohexadecane; pyridin-1-ium IUPAC Name: 2-bromo-2-nitropropane-1,3-diol; 1-chlorohexadecane; pyridin-1-ium Traditional Name: 2-bromo-2-nitro-propane-1,3-diol; 1-chlorohexadecane; pyridin-1-ium Formula: C24H45BrClN2O4+ MolecularWeight: 540.9821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCl.C1=CC=[NH+]C=C1.C(C(CO)([N+](=O)[O-])Br)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCl.C1=CC=[NH+]C=C1.C(C(CO)([N+](=O)[O-])Br)O

InChI

InChI=1S/C16H33Cl.C5H5N.C3H6BrNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-4-6-5-3-1;4-3(1-6,2-7)5(8)9/h2-16H2,1H3;1-5H;6-7H,1-2H2/p+1