3-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]benzoic acid Openeye Name: 3-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]benzoic acid CAS Name: 3-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]benzoic acid IUPAC Name: 3-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]benzoic acid Traditional Name: 3-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]benzoic acid Formula: C18H19BrO3 MolecularWeight: 363.24566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H19BrO3/c1-11(2)15-9-16(19)12(3)7-17(15)22-10-13-5-4-6-14(8-13)18(20)21/h4-9,11H,10H2,1-3H3,(H,20,21)