2-(carboxymethylsulfanyl)-4-(2,5-ditert-butylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(carboxymethylsulfanyl)-4-(2,5-ditert-butylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(carboxymethylsulfanyl)-4-(2,5-ditert-butylphenyl)-4-oxo-butanoic acid CAS Name: 2-(carboxymethylthio)-4-(2,5-ditert-butylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(carboxymethylsulfanyl)-4-(2,5-ditert-butylphenyl)-4-oxobutanoic acid Traditional Name: 2-(carboxymethylthio)-4-(2,5-ditert-butylphenyl)-4-keto-butyric acid Formula: C20H28O5S MolecularWeight: 380.49832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28O5S/c1-19(2,3)12-7-8-14(20(4,5)6)13(9-12)15(21)10-16(18(24)25)26-11-17(22)23/h7-9,16H,10-11H2,1-6H3,(H,22,23)(H,24,25)