2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentyl-propanoic acid

Systemtic Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentyl-propanoic acid Openeye Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentyl-propanoic acid CAS Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentylpropanoic acid IUPAC Name: 2-[3,4-bis(methylsulfonyl)phenyl]-3-cyclopentylpropanoic acid Traditional Name: 3-cyclopentyl-2-(3,4-dimesylphenyl)propionic acid Formula: C16H22O6S2 MolecularWeight: 374.47228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)C(=O)O)S(=O)(=O)C

InChI

InChI=1S/C16H22O6S2/c1-23(19,20)14-8-7-12(10-15(14)24(2,21)22)13(16(17)18)9-11-5-3-4-6-11/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,17,18)