5-bromanyl-3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-bromanyl-3-[(4-tert-butylphenoxy)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-bromo-3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-benzoic acid CAS Name: 5-bromo-3-[(4-tert-butylphenoxy)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-bromo-3-[(4-tert-butylphenoxy)methyl]-2-hydroxybenzoic acid Traditional Name: 5-bromo-3-[(4-tert-butylphenoxy)methyl]-2-hydroxy-benzoic acid Formula: C18H19BrO4 MolecularWeight: 379.24506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=C(C(=CC(=C2)Br)C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=C(C(=CC(=C2)Br)C(=O)O)O

InChI

InChI=1S/C18H19BrO4/c1-18(2,3)12-4-6-14(7-5-12)23-10-11-8-13(19)9-15(16(11)20)17(21)22/h4-9,20H,10H2,1-3H3,(H,21,22)