(2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: (2S)-3-(3-bromanyl-4-oxidanyl-phenyl)-2-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: (2S)-3-(3-bromo-4-hydroxy-phenyl)-2-(3,4-dimethoxyphenyl)propanoic acid CAS Name: (2S)-3-(3-bromo-4-hydroxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: (2S)-3-(3-bromo-4-hydroxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: (2S)-3-(3-bromo-4-hydroxy-phenyl)-2-(3,4-dimethoxyphenyl)propionic acid Formula: C17H17BrO5 MolecularWeight: 381.21788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC(=C(C=C2)O)Br)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC2=CC(=C(C=C2)O)Br)C(=O)O)OC

InChI

InChI=1S/C17H17BrO5/c1-22-15-6-4-11(9-16(15)23-2)12(17(20)21)7-10-3-5-14(19)13(18)8-10/h3-6,8-9,12,19H,7H2,1-2H3,(H,20,21)/t12-/m0/s1