4-bromanyloxepan-2-one; 2,3-dimethylbut-2-enyl N-octadecylcarbamate

Systemtic Name: 4-bromanyloxepan-2-one; 2,3-dimethylbut-2-enyl N-octadecylcarbamate Openeye Name: 4-bromooxepan-2-one; 2,3-dimethylbut-2-enyl N-octadecylcarbamate CAS Name: 4-bromo-2-oxepanone; N-octadecylcarbamic acid 2,3-dimethylbut-2-enyl ester IUPAC Name: 4-bromooxepan-2-one; 2,3-dimethylbut-2-enyl N-octadecylcarbamate Traditional Name: 4-bromooxepan-2-one; N-stearylcarbamic acid 2,3-dimethylbut-2-enyl ester Formula: C31H58BrNO4 MolecularWeight: 588.70052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)C.C1CC(CC(=O)OC1)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)C.C1CC(CC(=O)OC1)Br

InChI

InChI=1S/C25H49NO2.C6H9BrO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-25(27)28-22-24(4)23(2)3;7-5-2-1-3-9-6(8)4-5/h5-22H2,1-4H3,(H,26,27);5H,1-4H2