2-(carboxymethylsulfanyl)-4-oxidanylidene-4-[2,4,6-tri(propan-2-yl)phenyl]butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-oxidanylidene-4-[2,4,6-tri(propan-2-yl)phenyl]butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-oxo-4-(2,4,6-triisopropylphenyl)butanoic acid CAS Name: 2-(carboxymethylthio)-4-oxo-4-[2,4,6-tri(propan-2-yl)phenyl]butanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-oxo-4-[2,4,6-tri(propan-2-yl)phenyl]butanoic acid Traditional Name: 2-(carboxymethylthio)-4-keto-4-(2,4,6-triisopropylphenyl)butyric acid Formula: C21H30O5S MolecularWeight: 394.5249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)CC(C(=O)O)SCC(=O)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)CC(C(=O)O)SCC(=O)O)C(C)C

InChI

InChI=1S/C21H30O5S/c1-11(2)14-7-15(12(3)4)20(16(8-14)13(5)6)17(22)9-18(21(25)26)27-10-19(23)24/h7-8,11-13,18H,9-10H2,1-6H3,(H,23,24)(H,25,26)