2-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-4-(4-hydroxyphenyl)butanoic acid

Systemtic Name: 2-[(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)methyl]-4-(4-hydroxyphenyl)butanoic acid Openeye Name: 2-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methyl]-4-(4-hydroxyphenyl)butanoic acid CAS Name: 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanoic acid IUPAC Name: 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanoic acid Traditional Name: 2-(2-bromo-5-hydroxy-4-methoxy-benzyl)-4-(4-hydroxyphenyl)butyric acid Formula: C18H19BrO5 MolecularWeight: 395.24446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)CC(CCC2=CC=C(C=C2)O)C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)CC(CCC2=CC=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C18H19BrO5/c1-24-17-10-15(19)13(9-16(17)21)8-12(18(22)23)5-2-11-3-6-14(20)7-4-11/h3-4,6-7,9-10,12,20-21H,2,5,8H2,1H3,(H,22,23)