2-[2-(4-carboxyoxyphenyl)butan-2-ylsulfonyl]-3-methylsulfonyl-bicyclo[2.2.1]heptane-5-carboxylic acid

Systemtic Name: 2-[2-(4-carboxyoxyphenyl)butan-2-ylsulfonyl]-3-methylsulfonyl-bicyclo[2.2.1]heptane-5-carboxylic acid Openeye Name: 5-[1-(4-carboxyoxyphenyl)-1-methyl-propyl]sulfonyl-6-methylsulfonyl-norbornane-2-carboxylic acid CAS Name: 2-[2-(4-carboxyoxyphenyl)butan-2-ylsulfonyl]-3-methylsulfonyl-5-bicyclo[2.2.1]heptanecarboxylic acid IUPAC Name: 2-[2-(4-carboxyoxyphenyl)butan-2-ylsulfonyl]-3-methylsulfonylbicyclo[2.2.1]heptane-5-carboxylic acid Traditional Name: 5-[1-(4-carboxyoxyphenyl)-1-methyl-propyl]sulfonyl-6-mesyl-norbornane-2-carboxylic acid Formula: C20H26O9S2 MolecularWeight: 474.54504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=C(C=C1)OC(=O)O)S(=O)(=O)C2C3CC(C2S(=O)(=O)C)C(C3)C(=O)O

Isomeric SMILES

CCC(C)(C1=CC=C(C=C1)OC(=O)O)S(=O)(=O)C2C3CC(C2S(=O)(=O)C)C(C3)C(=O)O

InChI

InChI=1S/C20H26O9S2/c1-4-20(2,12-5-7-13(8-6-12)29-19(23)24)31(27,28)16-11-9-14(15(10-11)18(21)22)17(16)30(3,25)26/h5-8,11,14-17H,4,9-10H2,1-3H3,(H,21,22)(H,23,24)