(2-hept-2-ynylsulfanylphenyl) 2-bromanylethanoate

Systemtic Name: (2-hept-2-ynylsulfanylphenyl) 2-bromanylethanoate Openeye Name: (2-hept-2-ynylsulfanylphenyl) 2-bromoacetate CAS Name: 2-bromoacetic acid [2-(hept-2-ynylthio)phenyl] ester IUPAC Name: (2-hept-2-ynylsulfanylphenyl) 2-bromoacetate Traditional Name: 2-bromoacetic acid [2-(hept-2-ynylthio)phenyl] ester Formula: C15H17BrO2S MolecularWeight: 341.26328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCSC1=CC=CC=C1OC(=O)CBr

Isomeric SMILES

CCCCC#CCSC1=CC=CC=C1OC(=O)CBr

InChI

InChI=1S/C15H17BrO2S/c1-2-3-4-5-8-11-19-14-10-7-6-9-13(14)18-15(17)12-16/h6-7,9-10H,2-4,11-12H2,1H3