11-sulfanylundecyl 3-bromanyl-2-methyl-propanoate

Systemtic Name: 11-sulfanylundecyl 3-bromanyl-2-methyl-propanoate Openeye Name: 11-sulfanylundecyl 3-bromo-2-methyl-propanoate CAS Name: 3-bromo-2-methylpropanoic acid 11-mercaptoundecyl ester IUPAC Name: 11-sulfanylundecyl 3-bromo-2-methylpropanoate Traditional Name: 3-bromo-2-methyl-propionic acid 11-mercaptoundecyl ester Formula: C15H29BrO2S MolecularWeight: 353.35856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CBr)C(=O)OCCCCCCCCCCCS

Isomeric SMILES

CC(CBr)C(=O)OCCCCCCCCCCCS

InChI

InChI=1S/C15H29BrO2S/c1-14(13-16)15(17)18-11-9-7-5-3-2-4-6-8-10-12-19/h14,19H,2-13H2,1H3