2-(2,4-ditert-butylphenyl)sulfanylpropanedioic acid

Systemtic Name: 2-(2,4-ditert-butylphenyl)sulfanylpropanedioic acid Openeye Name: 2-(2,4-ditert-butylphenyl)sulfanylpropanedioic acid CAS Name: 2-[(2,4-ditert-butylphenyl)thio]propanedioic acid IUPAC Name: 2-(2,4-ditert-butylphenyl)sulfanylpropanedioic acid Traditional Name: 2-[(2,4-ditert-butylphenyl)thio]malonic acid Formula: C17H24O4S MolecularWeight: 324.43506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)SC(C(=O)O)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)SC(C(=O)O)C(=O)O)C(C)(C)C

InChI

InChI=1S/C17H24O4S/c1-16(2,3)10-7-8-12(11(9-10)17(4,5)6)22-13(14(18)19)15(20)21/h7-9,13H,1-6H3,(H,18,19)(H,20,21)