5-bromanyl-6-methoxy-naphthalene-1-carboxylic acid; 6-methoxy-5-(trifluoromethyl)naphthalene-1-carboxylic acid

Systemtic Name: 5-bromanyl-6-methoxy-naphthalene-1-carboxylic acid; 6-methoxy-5-(trifluoromethyl)naphthalene-1-carboxylic acid Openeye Name: 5-bromo-6-methoxy-naphthalene-1-carboxylic acid; 6-methoxy-5-(trifluoromethyl)naphthalene-1-carboxylic acid CAS Name: 5-bromo-6-methoxy-1-naphthalenecarboxylic acid; 6-methoxy-5-(trifluoromethyl)-1-naphthalenecarboxylic acid IUPAC Name: 5-bromo-6-methoxynaphthalene-1-carboxylic acid; 6-methoxy-5-(trifluoromethyl)naphthalene-1-carboxylic acid Traditional Name: 5-bromo-6-methoxy-1-naphthoic acid; 6-methoxy-5-(trifluoromethyl)-1-naphthoic acid Formula: C25H18BrF3O6 MolecularWeight: 551.30603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC=C2)C(=O)O)C(F)(F)F.COC1=C(C2=C(C=C1)C(=CC=C2)C(=O)O)Br

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC=C2)C(=O)O)C(F)(F)F.COC1=C(C2=C(C=C1)C(=CC=C2)C(=O)O)Br

InChI

InChI=1S/C13H9F3O3.C12H9BrO3/c1-19-10-6-5-7-8(11(10)13(14,15)16)3-2-4-9(7)12(17)18;1-16-10-6-5-7-8(11(10)13)3-2-4-9(7)12(14)15/h2-6H,1H3,(H,17,18);2-6H,1H3,(H,14,15)