3-[3-bromanyl-2-(2-methoxyethyl)-4,6-bis(oxidanyl)phenyl]benzoic acid

Systemtic Name: 3-[3-bromanyl-2-(2-methoxyethyl)-4,6-bis(oxidanyl)phenyl]benzoic acid Openeye Name: 3-[3-bromo-4,6-dihydroxy-2-(2-methoxyethyl)phenyl]benzoic acid CAS Name: 3-[3-bromo-4,6-dihydroxy-2-(2-methoxyethyl)phenyl]benzoic acid IUPAC Name: 3-[3-bromo-4,6-dihydroxy-2-(2-methoxyethyl)phenyl]benzoic acid Traditional Name: 3-[3-bromo-4,6-dihydroxy-2-(2-methoxyethyl)phenyl]benzoic acid Formula: C16H15BrO5 MolecularWeight: 367.1913

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=C(C(=CC(=C1Br)O)O)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

COCCC1=C(C(=CC(=C1Br)O)O)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C16H15BrO5/c1-22-6-5-11-14(12(18)8-13(19)15(11)17)9-3-2-4-10(7-9)16(20)21/h2-4,7-8,18-19H,5-6H2,1H3,(H,20,21)