3-[4-(4-methoxy-4-oxidanylidene-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid

Systemtic Name: 3-[4-(4-methoxy-4-oxidanylidene-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Openeye Name: 3-[4-(4-methoxy-4-oxo-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid CAS Name: 3-[4-(4-methoxy-4-oxobutoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid IUPAC Name: 3-[4-(4-methoxy-4-oxobutoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propanoic acid Traditional Name: 3-[4-(4-keto-4-methoxy-butoxy)-2-(5-methylsulfonyloxypentoxy)phenyl]propionic acid Formula: C20H30O9S MolecularWeight: 446.5118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCOC1=CC(=C(C=C1)CCC(=O)O)OCCCCCOS(=O)(=O)C

Isomeric SMILES

COC(=O)CCCOC1=CC(=C(C=C1)CCC(=O)O)OCCCCCOS(=O)(=O)C

InChI

InChI=1S/C20H30O9S/c1-26-20(23)7-6-13-27-17-10-8-16(9-11-19(21)22)18(15-17)28-12-4-3-5-14-29-30(2,24)25/h8,10,15H,3-7,9,11-14H2,1-2H3,(H,21,22)