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

Systemtic Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentyl)phenyl]-2-oxidanylidene-propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentyl)phenyl]-2-oxo-propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentyl)phenyl]-2-oxopropanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentyl)phenyl]-2-oxopropanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-2-(5-methylsulfonyloxypentyl)phenyl]-2-keto-propionic acid Formula: C18H24O8S MolecularWeight: 400.44336

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCCCCCC1=C(C=CC=C1CCC(=O)O)CC(=O)C(=O)O

Isomeric SMILES

CS(=O)(=O)OCCCCCC1=C(C=CC=C1CCC(=O)O)CC(=O)C(=O)O

InChI

InChI=1S/C18H24O8S/c1-27(24,25)26-11-4-2-3-8-15-13(9-10-17(20)21)6-5-7-14(15)12-16(19)18(22)23/h5-7H,2-4,8-12H2,1H3,(H,20,21)(H,22,23)