3-[3-(2-carboxyethyl)-4-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-4-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4-(5-methylsulfonyloxypentoxy)phenyl]propionic acid Formula: C18H26O8S MolecularWeight: 402.45924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCOC1=C(C=C(C=C1)CCC(=O)O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCOC1=C(C=C(C=C1)CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C18H26O8S/c1-27(23,24)26-12-4-2-3-11-25-16-8-5-14(6-9-17(19)20)13-15(16)7-10-18(21)22/h5,8,13H,2-4,6-7,9-12H2,1H3,(H,19,20)(H,21,22)