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

Systemtic Name: 2-[4-(oxan-4-yloxy)phenyl]sulfanyloctanoic acid Openeye Name: 2-(4-tetrahydropyran-4-yloxyphenyl)sulfanyloctanoic acid CAS Name: 2-[[4-(4-oxanyloxy)phenyl]thio]octanoic acid IUPAC Name: 2-[4-(oxan-4-yloxy)phenyl]sulfanyloctanoic acid Traditional Name: 2-[(4-tetrahydropyran-4-yloxyphenyl)thio]caprylic acid Formula: C19H28O4S MolecularWeight: 352.48822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OC2CCOCC2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)OC2CCOCC2

InChI

InChI=1S/C19H28O4S/c1-2-3-4-5-6-18(19(20)21)24-17-9-7-15(8-10-17)23-16-11-13-22-14-12-16/h7-10,16,18H,2-6,11-14H2,1H3,(H,20,21)