2-[2-(oxan-4-yloxy)phenyl]sulfinyloctanoic acid

Systemtic Name: 2-[2-(oxan-4-yloxy)phenyl]sulfinyloctanoic acid Openeye Name: 2-(2-tetrahydropyran-4-yloxyphenyl)sulfinyloctanoic acid CAS Name: 2-[2-(4-oxanyloxy)phenyl]sulfinyloctanoic acid IUPAC Name: 2-[2-(oxan-4-yloxy)phenyl]sulfinyloctanoic acid Traditional Name: 2-(2-tetrahydropyran-4-yloxyphenyl)sulfinylcaprylic acid Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)S(=O)C1=CC=CC=C1OC2CCOCC2

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)C1=CC=CC=C1OC2CCOCC2

InChI

InChI=1S/C19H28O5S/c1-2-3-4-5-10-18(19(20)21)25(22)17-9-7-6-8-16(17)24-15-11-13-23-14-12-15/h6-9,15,18H,2-5,10-14H2,1H3,(H,20,21)