2-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-(3-bromanyl-5-methyl-4-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-(3-bromo-4-hydroxy-5-methyl-phenyl)acetic acid CAS Name: 2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid IUPAC Name: 2-(3-bromo-4-hydroxy-5-methylphenyl)acetic acid Traditional Name: 2-(3-bromo-4-hydroxy-5-methyl-phenyl)acetic acid Formula: C9H9BrO3 MolecularWeight: 245.06996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC(=O)O)Br)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC(=O)O)Br)O

InChI

InChI=1S/C9H9BrO3/c1-5-2-6(4-8(11)12)3-7(10)9(5)13/h2-3,13H,4H2,1H3,(H,11,12)