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

Systemtic Name: (2S)-3-(3-bromanyl-5-chloranyl-2-oxidanyl-phenyl)-2-(4-methoxyphenyl)propanoate Openeye Name: (2S)-3-(3-bromo-5-chloro-2-hydroxy-phenyl)-2-(4-methoxyphenyl)propanoate CAS Name: (2S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)propanoate IUPAC Name: (2S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)propanoate Traditional Name: (2S)-3-(3-bromo-5-chloro-2-hydroxy-phenyl)-2-(4-methoxyphenyl)propionate Formula: C16H13BrClO4- MolecularWeight: 384.62902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC(=CC(=C2O)Br)Cl)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC2=CC(=CC(=C2O)Br)Cl)C(=O)[O-]

InChI

InChI=1S/C16H14BrClO4/c1-22-12-4-2-9(3-5-12)13(16(20)21)7-10-6-11(18)8-14(17)15(10)19/h2-6,8,13,19H,7H2,1H3,(H,20,21)/p-1/t13-/m0/s1