2-[6-(2,4-dimethylphenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid

Systemtic Name: 2-[6-(2,4-dimethylphenyl)hexylsulfanylmethyl]-2-oxidanyl-butanedioic acid Openeye Name: 2-[6-(2,4-dimethylphenyl)hexylsulfanylmethyl]-2-hydroxy-butanedioic acid CAS Name: 2-[[6-(2,4-dimethylphenyl)hexylthio]methyl]-2-hydroxybutanedioic acid IUPAC Name: 2-[6-(2,4-dimethylphenyl)hexylsulfanylmethyl]-2-hydroxybutanedioic acid Traditional Name: 2-[[6-(2,4-dimethylphenyl)hexylthio]methyl]-2-hydroxy-succinic acid Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCCCCSCC(CC(=O)O)(C(=O)O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCCCCSCC(CC(=O)O)(C(=O)O)O)C

InChI

InChI=1S/C19H28O5S/c1-14-8-9-16(15(2)11-14)7-5-3-4-6-10-25-13-19(24,18(22)23)12-17(20)21/h8-9,11,24H,3-7,10,12-13H2,1-2H3,(H,20,21)(H,22,23)