3-[4-[3-(4-butylsulfonyloxyphenyl)propyl]-3-oxidanyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-butylsulfonyloxyphenyl)propyl]-3-oxidanyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-butylsulfonyloxyphenyl)propyl]-3-hydroxy-phenyl]propanoic acid CAS Name: 3-[4-[3-(4-butylsulfonyloxyphenyl)propyl]-3-hydroxyphenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-butylsulfonyloxyphenyl)propyl]-3-hydroxyphenyl]propanoic acid Traditional Name: 3-[4-[3-(4-butylsulfonyloxyphenyl)propyl]-3-hydroxy-phenyl]propionic acid Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=C(C=C1)CCCC2=C(C=C(C=C2)CCC(=O)O)O

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=C(C=C1)CCCC2=C(C=C(C=C2)CCC(=O)O)O

InChI

InChI=1S/C22H28O6S/c1-2-3-15-29(26,27)28-20-12-8-17(9-13-20)5-4-6-19-11-7-18(16-21(19)23)10-14-22(24)25/h7-9,11-13,16,23H,2-6,10,14-15H2,1H3,(H,24,25)