2-[5-(2-bromanyl-1,1-dimethoxy-propyl)-2-phenyl-phenyl]ethanethioate

Systemtic Name: 2-[5-(2-bromanyl-1,1-dimethoxy-propyl)-2-phenyl-phenyl]ethanethioate Openeye Name: 2-[5-(2-bromo-1,1-dimethoxy-propyl)-2-phenyl-phenyl]ethanethioate CAS Name: 2-[5-(2-bromo-1,1-dimethoxypropyl)-2-phenylphenyl]ethanethioate IUPAC Name: 2-[5-(2-bromo-1,1-dimethoxypropyl)-2-phenylphenyl]ethanethioate Traditional Name: 2-[5-(2-bromo-1,1-dimethoxy-propyl)-2-phenyl-phenyl]thioacetate Formula: C19H20BrO3S- MolecularWeight: 408.3293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)C2=CC=CC=C2)CC(=S)[O-])(OC)OC)Br

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)C2=CC=CC=C2)CC(=S)[O-])(OC)OC)Br

InChI

InChI=1S/C19H21BrO3S/c1-13(20)19(22-2,23-3)16-9-10-17(14-7-5-4-6-8-14)15(11-16)12-18(21)24/h4-11,13H,12H2,1-3H3,(H,21,24)/p-1