3-bromanyl-4-[(4-carboxylatophenyl)methoxy]-5-methoxy-benzoate

Systemtic Name: 3-bromanyl-4-[(4-carboxylatophenyl)methoxy]-5-methoxy-benzoate Openeye Name: 3-bromo-4-[(4-carboxylatophenyl)methoxy]-5-methoxy-benzoate CAS Name: 3-bromo-4-[(4-carboxylatophenyl)methoxy]-5-methoxybenzoate IUPAC Name: 3-bromo-4-[(4-carboxylatophenyl)methoxy]-5-methoxybenzoate Traditional Name: 3-bromo-4-(4-carboxylatobenzyl)oxy-5-methoxy-benzoate Formula: C16H11BrO6-2 MolecularWeight: 379.15894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)[O-])Br)OCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H13BrO6/c1-22-13-7-11(16(20)21)6-12(17)14(13)23-8-9-2-4-10(5-3-9)15(18)19/h2-7H,8H2,1H3,(H,18,19)(H,20,21)/p-2