2-[4-(5-oxidanylpentoxy)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[4-(5-oxidanylpentoxy)phenyl]sulfanyloctanoic acid Openeye Name: 2-[4-(5-hydroxypentoxy)phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-(5-hydroxypentoxy)phenyl]thio]octanoic acid IUPAC Name: 2-[4-(5-hydroxypentoxy)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[4-(5-hydroxypentoxy)phenyl]thio]caprylic acid Formula: C19H30O4S MolecularWeight: 354.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O4S/c1-2-3-4-6-9-18(19(21)22)24-17-12-10-16(11-13-17)23-15-8-5-7-14-20/h10-13,18,20H,2-9,14-15H2,1H3,(H,21,22)