4-(1-oxidanyl-1-oxidanylidene-2-phenoxy-octan-4-yl)sulfanyl-2-phenoxy-octanoic acid

Systemtic Name: 4-(1-oxidanyl-1-oxidanylidene-2-phenoxy-octan-4-yl)sulfanyl-2-phenoxy-octanoic acid Openeye Name: 4-[1-(3-hydroxy-3-oxo-2-phenoxy-propyl)pentylsulfanyl]-2-phenoxy-octanoic acid CAS Name: 4-[(1-hydroxy-1-oxo-2-phenoxyoctan-4-yl)thio]-2-phenoxyoctanoic acid IUPAC Name: 4-(1-hydroxy-1-oxo-2-phenoxyoctan-4-yl)sulfanyl-2-phenoxyoctanoic acid Traditional Name: 4-[1-(3-hydroxy-3-keto-2-phenoxy-propyl)pentylthio]-2-phenoxy-caprylic acid Formula: C28H38O6S MolecularWeight: 502.66272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C(=O)O)OC1=CC=CC=C1)SC(CCCC)CC(C(=O)O)OC2=CC=CC=C2

Isomeric SMILES

CCCCC(CC(C(=O)O)OC1=CC=CC=C1)SC(CCCC)CC(C(=O)O)OC2=CC=CC=C2

InChI

InChI=1S/C28H38O6S/c1-3-5-17-23(19-25(27(29)30)33-21-13-9-7-10-14-21)35-24(18-6-4-2)20-26(28(31)32)34-22-15-11-8-12-16-22/h7-16,23-26H,3-6,17-20H2,1-2H3,(H,29,30)(H,31,32)