(2S)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-phenyl-propanoate

Systemtic Name: (2S)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-phenyl-propanoate Openeye Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-phenyl-propanoate CAS Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenylpropanoate IUPAC Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-phenylpropanoate Traditional Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-phenyl-propionate Formula: C16H14BrO4- MolecularWeight: 350.18396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC(C2=CC=CC=C2)C(=O)[O-])Br)O

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrO4/c1-21-14-9-10(8-13(17)15(14)18)7-12(16(19)20)11-5-3-2-4-6-11/h2-6,8-9,12,18H,7H2,1H3,(H,19,20)/p-1/t12-/m0/s1