4-[(2-bromanyl-6-tert-butyl-4-methoxy-phenoxy)methyl]benzoic acid

Systemtic Name: 4-[(2-bromanyl-6-tert-butyl-4-methoxy-phenoxy)methyl]benzoic acid Openeye Name: 4-[(2-bromo-6-tert-butyl-4-methoxy-phenoxy)methyl]benzoic acid CAS Name: 4-[(2-bromo-6-tert-butyl-4-methoxyphenoxy)methyl]benzoic acid IUPAC Name: 4-[(2-bromo-6-tert-butyl-4-methoxyphenoxy)methyl]benzoic acid Traditional Name: 4-[(2-bromo-6-tert-butyl-4-methoxy-phenoxy)methyl]benzoic acid Formula: C19H21BrO4 MolecularWeight: 393.27164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)Br)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCC2=CC=C(C=C2)C(=O)O)Br)OC

InChI

InChI=1S/C19H21BrO4/c1-19(2,3)15-9-14(23-4)10-16(20)17(15)24-11-12-5-7-13(8-6-12)18(21)22/h5-10H,11H2,1-4H3,(H,21,22)