(2S)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-thiophen-2-yl-propanoate

Systemtic Name: (2S)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-thiophen-2-yl-propanoate Openeye Name: (2S)-3-(5-bromo-2-hydroxy-phenyl)-2-(2-thienyl)propanoate CAS Name: (2S)-3-(5-bromo-2-hydroxyphenyl)-2-thiophen-2-ylpropanoate IUPAC Name: (2S)-3-(5-bromo-2-hydroxyphenyl)-2-thiophen-2-ylpropanoate Traditional Name: (2S)-3-(5-bromo-2-hydroxy-phenyl)-2-(2-thienyl)propionate Formula: C13H10BrO3S- MolecularWeight: 326.1857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC2=C(C=CC(=C2)Br)O)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)[C@@H](CC2=C(C=CC(=C2)Br)O)C(=O)[O-]

InChI

InChI=1S/C13H11BrO3S/c14-9-3-4-11(15)8(6-9)7-10(13(16)17)12-2-1-5-18-12/h1-6,10,15H,7H2,(H,16,17)/p-1/t10-/m1/s1