4-bromanyl-3-(carboxymethyloxy)-5-(3-phenylmethoxyphenyl)thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-3-(carboxymethyloxy)-5-(3-phenylmethoxyphenyl)thiophene-2-carboxylic acid Openeye Name: 5-(3-benzyloxyphenyl)-4-bromo-3-(carboxymethyloxy)thiophene-2-carboxylic acid CAS Name: 4-bromo-3-(carboxymethyloxy)-5-(3-phenylmethoxyphenyl)-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-3-(carboxymethyloxy)-5-(3-phenylmethoxyphenyl)thiophene-2-carboxylic acid Traditional Name: 5-(3-benzoxyphenyl)-4-bromo-3-(carboxymethyloxy)-2-thenoic acid Formula: C20H15BrO6S MolecularWeight: 463.2985

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=C(C(=C(S3)C(=O)O)OCC(=O)O)Br

InChI

InChI=1S/C20H15BrO6S/c21-16-17(27-11-15(22)23)19(20(24)25)28-18(16)13-7-4-8-14(9-13)26-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,22,23)(H,24,25)