12-[5-methyl-2-(7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-phenoxy]dodecanoic acid

Systemtic Name: 12-[5-methyl-2-(7-oxidanyl-7-oxidanylidene-heptyl)sulfanyl-phenoxy]dodecanoic acid Openeye Name: 12-[2-(7-hydroxy-7-oxo-heptyl)sulfanyl-5-methyl-phenoxy]dodecanoic acid CAS Name: 12-[2-[(7-hydroxy-7-oxoheptyl)thio]-5-methylphenoxy]dodecanoic acid IUPAC Name: 12-[2-(7-hydroxy-7-oxoheptyl)sulfanyl-5-methylphenoxy]dodecanoic acid Traditional Name: 12-[2-[(7-hydroxy-7-keto-heptyl)thio]-5-methyl-phenoxy]lauric acid Formula: C26H42O5S MolecularWeight: 466.67368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCCCCCCC(=O)O)OCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SCCCCCCC(=O)O)OCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C26H42O5S/c1-22-17-18-24(32-20-14-10-8-12-16-26(29)30)23(21-22)31-19-13-9-6-4-2-3-5-7-11-15-25(27)28/h17-18,21H,2-16,19-20H2,1H3,(H,27,28)(H,29,30)