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5-methylsulfonyl-3-phenylmethoxy-thiophene-2-carboxylic acid

5-methylsulfonyl-3-phenylmethoxy-thiophene-2-carboxylic acid

Systemtic Name:5-methylsulfonyl-3-phenylmethoxy-thiophene-2-carboxylic acid
Openeye Name:3-benzyloxy-5-methylsulfonyl-thiophene-2-carboxylic acid
CAS Name:5-methylsulfonyl-3-phenylmethoxy-2-thiophenecarboxylic acid
IUPAC Name:5-methylsulfonyl-3-phenylmethoxythiophene-2-carboxylic acid
Traditional Name:3-benzoxy-5-mesyl-2-thenoic acid
Formula: C13H12O5S2
MolecularWeight: 312.36138
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(S1)C(=O)O)OCC2=CC=CC=C2


Isomeric SMILES

CS(=O)(=O)C1=CC(=C(S1)C(=O)O)OCC2=CC=CC=C2


InChI

InChI=1S/C13H12O5S2/c1-20(16,17)11-7-10(12(19-11)13(14)15)18-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,15)


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