2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfonyl]phenyl]ethanoic acid Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]acetic acid CAS Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]acetic acid Traditional Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]acetic acid Formula: C22H26O7S MolecularWeight: 434.50264

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCS(=O)(=O)C2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C22H26O7S/c1-3-5-19-20(11-10-18(15(2)23)22(19)26)29-12-4-13-30(27,28)17-8-6-16(7-9-17)14-21(24)25/h6-11,26H,3-5,12-14H2,1-2H3,(H,24,25)