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

Systemtic Name: 2-[4-(oxan-4-yloxy)phenyl]sulfonyloctanoic acid Openeye Name: 2-(4-tetrahydropyran-4-yloxyphenyl)sulfonyloctanoic acid CAS Name: 2-[4-(4-oxanyloxy)phenyl]sulfonyloctanoic acid IUPAC Name: 2-[4-(oxan-4-yloxy)phenyl]sulfonyloctanoic acid Traditional Name: 2-(4-tetrahydropyran-4-yloxyphenyl)sulfonylcaprylic acid Formula: C19H28O6S MolecularWeight: 384.48702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O6S/c1-2-3-4-5-6-18(19(20)21)26(22,23)17-9-7-15(8-10-17)25-16-11-13-24-14-12-16/h7-10,16,18H,2-6,11-14H2,1H3,(H,20,21)