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

Systemtic Name: (2S)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-methoxyphenyl)propanoate Openeye Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-methoxyphenyl)propanoate CAS Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-methoxyphenyl)propanoate IUPAC Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(4-methoxyphenyl)propanoate Traditional Name: (2S)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-(4-methoxyphenyl)propionate Formula: C17H16BrO5- MolecularWeight: 380.20994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrO5/c1-22-12-5-3-11(4-6-12)13(17(20)21)7-10-8-14(18)16(19)15(9-10)23-2/h3-6,8-9,13,19H,7H2,1-2H3,(H,20,21)/p-1/t13-/m0/s1