2-[2-(5-bromanyl-2,4-dimethoxy-phenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(5-bromanyl-2,4-dimethoxy-phenyl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(5-bromo-2,4-dimethoxy-phenyl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(5-bromo-2,4-dimethoxyphenyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(5-bromo-2,4-dimethoxyphenyl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(5-bromo-2,4-dimethoxy-phenyl)-2-keto-ethyl]thio]benzoic acid Formula: C17H15BrO5S MolecularWeight: 411.267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CSC2=CC=CC=C2C(=O)O)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CSC2=CC=CC=C2C(=O)O)Br)OC

InChI

InChI=1S/C17H15BrO5S/c1-22-14-8-15(23-2)12(18)7-11(14)13(19)9-24-16-6-4-3-5-10(16)17(20)21/h3-8H,9H2,1-2H3,(H,20,21)