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4-(4-tert-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxidanylidene-butanoic acid

4-(4-tert-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxidanylidene-butanoic acid

Systemtic Name:4-(4-tert-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxidanylidene-butanoic acid
Openeye Name:4-(4-tert-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxo-butanoic acid
CAS Name:4-(4-tert-butylphenyl)-2-(carboxymethylthio)-4-oxobutanoic acid
IUPAC Name:4-(4-tert-butylphenyl)-2-(carboxymethylsulfanyl)-4-oxobutanoic acid
Traditional Name:4-(4-tert-butylphenyl)-2-(carboxymethylthio)-4-keto-butyric acid
Formula: C16H20O5S
MolecularWeight: 324.392
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H20O5S/c1-16(2,3)11-6-4-10(5-7-11)12(17)8-13(15(20)21)22-9-14(18)19/h4-7,13H,8-9H2,1-3H3,(H,18,19)(H,20,21)


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