(2-chloranyl-2-nitro-1-oxidanyl-butyl) octadecanoate

Systemtic Name: (2-chloranyl-2-nitro-1-oxidanyl-butyl) octadecanoate Openeye Name: (2-chloro-1-hydroxy-2-nitro-butyl) octadecanoate CAS Name: octadecanoic acid (2-chloro-1-hydroxy-2-nitrobutyl) ester IUPAC Name: (2-chloro-1-hydroxy-2-nitrobutyl) octadecanoate Traditional Name: stearic acid (2-chloro-1-hydroxy-2-nitro-butyl) ester Formula: C22H42ClNO5 MolecularWeight: 436.02558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C(CC)([N+](=O)[O-])Cl)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C(CC)([N+](=O)[O-])Cl)O

InChI

InChI=1S/C22H42ClNO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)29-21(26)22(23,4-2)24(27)28/h21,26H,3-19H2,1-2H3