3-(2-ethylphenyl)-2-[3-(2-ethylphenyl)-2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 3-(2-ethylphenyl)-2-[3-(2-ethylphenyl)-2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-propanoic acid Openeye Name: 3-(2-ethylphenyl)-2-[1-[(2-ethylphenyl)methyl]-2-hydroxy-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-propanoic acid CAS Name: 3-(2-ethylphenyl)-2-[[3-(2-ethylphenyl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]thio]-2-methylpropanoic acid IUPAC Name: 3-(2-ethylphenyl)-2-[3-(2-ethylphenyl)-1-hydroxy-2-methyl-1-oxopropan-2-yl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[1-(2-ethylbenzyl)-2-hydroxy-2-keto-1-methyl-ethyl]thio]-3-(2-ethylphenyl)-2-methyl-propionic acid Formula: C24H30O4S MolecularWeight: 414.5576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CC(C)(C(=O)O)SC(C)(CC2=CC=CC=C2CC)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1CC(C)(C(=O)O)SC(C)(CC2=CC=CC=C2CC)C(=O)O

InChI

InChI=1S/C24H30O4S/c1-5-17-11-7-9-13-19(17)15-23(3,21(25)26)29-24(4,22(27)28)16-20-14-10-8-12-18(20)6-2/h7-14H,5-6,15-16H2,1-4H3,(H,25,26)(H,27,28)