[3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 6-bromanylhexanoate

Systemtic Name: [3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 6-bromanylhexanoate Openeye Name: [3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 6-bromohexanoate CAS Name: 6-bromohexanoic acid [3-methyl-2-[[(octadecylamino)-oxomethoxy]methyl]but-2-enyl] ester IUPAC Name: [3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 6-bromohexanoate Traditional Name: 6-bromohexanoic acid [3-methyl-2-(stearylcarbamoyloxymethyl)but-2-enyl] ester Formula: C31H58BrNO4 MolecularWeight: 588.70052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)COC(=O)CCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)COC(=O)CCCCCBr

InChI

InChI=1S/C31H58BrNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-33-31(35)37-27-29(28(2)3)26-36-30(34)23-20-19-21-24-32/h4-27H2,1-3H3,(H,33,35)