2-[(2-tert-butylsulfanylphenyl)methylidene]propanedioic acid

Systemtic Name: 2-[(2-tert-butylsulfanylphenyl)methylidene]propanedioic acid Openeye Name: 2-[(2-tert-butylsulfanylphenyl)methylene]propanedioic acid CAS Name: 2-[[2-(tert-butylthio)phenyl]methylidene]propanedioic acid IUPAC Name: 2-[(2-tert-butylsulfanylphenyl)methylidene]propanedioic acid Traditional Name: 2-[2-(tert-butylthio)benzylidene]malonic acid Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1C=C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H16O4S/c1-14(2,3)19-11-7-5-4-6-9(11)8-10(12(15)16)13(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)