12-[5-methyl-2-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)oxy-phenyl]sulfanyldodecanoic acid

Systemtic Name: 12-[5-methyl-2-(5-oxidanyl-5-oxidanylidene-pentan-2-yl)oxy-phenyl]sulfanyldodecanoic acid Openeye Name: 12-[2-(4-hydroxy-1-methyl-4-oxo-butoxy)-5-methyl-phenyl]sulfanyldodecanoic acid CAS Name: 12-[[2-(5-hydroxy-5-oxopentan-2-yl)oxy-5-methylphenyl]thio]dodecanoic acid IUPAC Name: 12-[2-(5-hydroxy-5-oxopentan-2-yl)oxy-5-methylphenyl]sulfanyldodecanoic acid Traditional Name: 12-[[2-(4-hydroxy-4-keto-1-methyl-butoxy)-5-methyl-phenyl]thio]lauric acid Formula: C24H38O5S MolecularWeight: 438.62052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)CCC(=O)O)SCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)CCC(=O)O)SCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C24H38O5S/c1-19-13-15-21(29-20(2)14-16-24(27)28)22(18-19)30-17-11-9-7-5-3-4-6-8-10-12-23(25)26/h13,15,18,20H,3-12,14,16-17H2,1-2H3,(H,25,26)(H,27,28)