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

Systemtic Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-2-(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=CC=C1CCC(=O)O)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCOC1=C(C=CC=C1CCC(=O)O)CCC(=O)O

InChI

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