6-bromanyl-3-[[3-(octadecylcarbamoyloxy)thietan-3-yl]methyl]hexanoate

Systemtic Name: 6-bromanyl-3-[[3-(octadecylcarbamoyloxy)thietan-3-yl]methyl]hexanoate Openeye Name: 6-bromo-3-[[3-(octadecylcarbamoyloxy)thietan-3-yl]methyl]hexanoate CAS Name: 6-bromo-3-[[3-[(octadecylamino)-oxomethoxy]-3-thietanyl]methyl]hexanoate IUPAC Name: 6-bromo-3-[[3-(octadecylcarbamoyloxy)thietan-3-yl]methyl]hexanoate Traditional Name: 6-bromo-3-[[3-(stearylcarbamoyloxy)thietan-3-yl]methyl]hexanoate Formula: C29H53BrNO4S- MolecularWeight: 591.70442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1(CSC1)CC(CCCBr)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1(CSC1)CC(CCCBr)CC(=O)[O-]

InChI

InChI=1S/C29H54BrNO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-28(34)35-29(24-36-25-29)23-26(19-18-20-30)22-27(32)33/h26H,2-25H2,1H3,(H,31,34)(H,32,33)/p-1