2-(carboxymethylsulfanyl)-4-oxidanylidene-4-(2,4,6-triethylphenyl)butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-oxidanylidene-4-(2,4,6-triethylphenyl)butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-oxo-4-(2,4,6-triethylphenyl)butanoic acid CAS Name: 2-(carboxymethylthio)-4-oxo-4-(2,4,6-triethylphenyl)butanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-oxo-4-(2,4,6-triethylphenyl)butanoic acid Traditional Name: 2-(carboxymethylthio)-4-keto-4-(2,4,6-triethylphenyl)butyric acid Formula: C18H24O5S MolecularWeight: 352.44516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)CC)C(=O)CC(C(=O)O)SCC(=O)O)CC

Isomeric SMILES

CCC1=CC(=C(C(=C1)CC)C(=O)CC(C(=O)O)SCC(=O)O)CC

InChI

InChI=1S/C18H24O5S/c1-4-11-7-12(5-2)17(13(6-3)8-11)14(19)9-15(18(22)23)24-10-16(20)21/h7-8,15H,4-6,9-10H2,1-3H3,(H,20,21)(H,22,23)