(2R)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-thiophen-2-yl-propanoic acid

Systemtic Name: (2R)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-thiophen-2-yl-propanoic acid Openeye Name: (2R)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2-thienyl)propanoic acid CAS Name: (2R)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-thiophen-2-ylpropanoic acid IUPAC Name: (2R)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-thiophen-2-ylpropanoic acid Traditional Name: (2R)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(2-thienyl)propionic acid Formula: C14H13BrO4S MolecularWeight: 357.21962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC(C2=CC=CS2)C(=O)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[C@@H](C2=CC=CS2)C(=O)O)Br)O

InChI

InChI=1S/C14H13BrO4S/c1-19-11-7-8(6-10(15)13(11)16)5-9(14(17)18)12-3-2-4-20-12/h2-4,6-7,9,16H,5H2,1H3,(H,17,18)/t9-/m0/s1