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

Systemtic Name: 2-[4-(oxan-4-yloxy)phenyl]sulfinyloctanoic acid Openeye Name: 2-(4-tetrahydropyran-4-yloxyphenyl)sulfinyloctanoic acid CAS Name: 2-[4-(4-oxanyloxy)phenyl]sulfinyloctanoic acid IUPAC Name: 2-[4-(oxan-4-yloxy)phenyl]sulfinyloctanoic acid Traditional Name: 2-(4-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=C(C=C1)OC2CCOCC2

Isomeric SMILES

CCCCCCC(C(=O)O)S(=O)C1=CC=C(C=C1)OC2CCOCC2

InChI

InChI=1S/C19H28O5S/c1-2-3-4-5-6-18(19(20)21)25(22)17-9-7-15(8-10-17)24-16-11-13-23-14-12-16/h7-10,16,18H,2-6,11-14H2,1H3,(H,20,21)