2-[4-(3-pyridin-2-ylpropoxy)phenyl]sulfinyloctanoic acid

Systemtic Name: 2-[4-(3-pyridin-2-ylpropoxy)phenyl]sulfinyloctanoic acid Openeye Name: 2-[4-[3-(2-pyridyl)propoxy]phenyl]sulfinyloctanoic acid CAS Name: 2-[4-[3-(2-pyridinyl)propoxy]phenyl]sulfinyloctanoic acid IUPAC Name: 2-[4-(3-pyridin-2-ylpropoxy)phenyl]sulfinyloctanoic acid Traditional Name: 2-[4-[3-(2-pyridyl)propoxy]phenyl]sulfinylcaprylic acid Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)C1=CC=C(C=C1)OCCCC2=CC=CC=N2

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)C1=CC=C(C=C1)OCCCC2=CC=CC=N2

InChI

InChI=1S/C22H29NO4S/c1-2-3-4-5-11-21(22(24)25)28(26)20-14-12-19(13-15-20)27-17-8-10-18-9-6-7-16-23-18/h6-7,9,12-16,21H,2-5,8,10-11,17H2,1H3,(H,24,25)