12-[2-methyl-6-(7-oxidanyl-7-oxidanylidene-heptan-2-yl)sulfanyl-phenoxy]dodecanoic acid

Systemtic Name: 12-[2-methyl-6-(7-oxidanyl-7-oxidanylidene-heptan-2-yl)sulfanyl-phenoxy]dodecanoic acid Openeye Name: 12-[2-(6-hydroxy-1-methyl-6-oxo-hexyl)sulfanyl-6-methyl-phenoxy]dodecanoic acid CAS Name: 12-[2-[(7-hydroxy-7-oxoheptan-2-yl)thio]-6-methylphenoxy]dodecanoic acid IUPAC Name: 12-[2-(7-hydroxy-7-oxoheptan-2-yl)sulfanyl-6-methylphenoxy]dodecanoic acid Traditional Name: 12-[2-[(6-hydroxy-6-keto-1-methyl-hexyl)thio]-6-methyl-phenoxy]lauric acid Formula: C26H42O5S MolecularWeight: 466.67368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)SC(C)CCCCC(=O)O)OCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)SC(C)CCCCC(=O)O)OCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C26H42O5S/c1-21-15-14-17-23(32-22(2)16-11-12-19-25(29)30)26(21)31-20-13-9-7-5-3-4-6-8-10-18-24(27)28/h14-15,17,22H,3-13,16,18-20H2,1-2H3,(H,27,28)(H,29,30)