2-[4-[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)oxyphenyl]sulfanylphenoxy]octanoic acid

Systemtic Name: 2-[4-[4-(1-oxidanyl-1-oxidanylidene-octan-2-yl)oxyphenyl]sulfanylphenoxy]octanoic acid Openeye Name: 2-[4-[4-(1-carboxyheptoxy)phenyl]sulfanylphenoxy]octanoic acid CAS Name: 2-[4-[[4-(1-hydroxy-1-oxooctan-2-yl)oxyphenyl]thio]phenoxy]octanoic acid IUPAC Name: 2-[4-[4-(1-hydroxy-1-oxooctan-2-yl)oxyphenyl]sulfanylphenoxy]octanoic acid Traditional Name: 2-[4-[[4-(1-carboxyheptoxy)phenyl]thio]phenoxy]caprylic acid Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OC(CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)O)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OC(CCCCCC)C(=O)O

InChI

InChI=1S/C28H38O6S/c1-3-5-7-9-11-25(27(29)30)33-21-13-17-23(18-14-21)35-24-19-15-22(16-20-24)34-26(28(31)32)12-10-8-6-4-2/h13-20,25-26H,3-12H2,1-2H3,(H,29,30)(H,31,32)