12-[2,4-dimethyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyldodecanoic acid

Systemtic Name: 12-[2,4-dimethyl-6-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanyldodecanoic acid Openeye Name: 12-[2-(4-hydroxy-4-oxo-butoxy)-4,6-dimethyl-phenyl]sulfanyldodecanoic acid CAS Name: 12-[[2-(4-hydroxy-4-oxobutoxy)-4,6-dimethylphenyl]thio]dodecanoic acid IUPAC Name: 12-[2-(4-hydroxy-4-oxobutoxy)-4,6-dimethylphenyl]sulfanyldodecanoic acid Traditional Name: 12-[[2-(4-hydroxy-4-keto-butoxy)-4,6-dimethyl-phenyl]thio]lauric acid Formula: C24H38O5S MolecularWeight: 438.62052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCC(=O)O)SCCCCCCCCCCCC(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCC(=O)O)SCCCCCCCCCCCC(=O)O)C

InChI

InChI=1S/C24H38O5S/c1-19-17-20(2)24(21(18-19)29-15-12-14-23(27)28)30-16-11-9-7-5-3-4-6-8-10-13-22(25)26/h17-18H,3-16H2,1-2H3,(H,25,26)(H,27,28)