2-(5-methyl-2-propan-2-yl-phenyl)sulfanylpropanedioic acid

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenyl)sulfanylpropanedioic acid Openeye Name: 2-(2-isopropyl-5-methyl-phenyl)sulfanylpropanedioic acid CAS Name: 2-[(5-methyl-2-propan-2-ylphenyl)thio]propanedioic acid IUPAC Name: 2-(5-methyl-2-propan-2-ylphenyl)sulfanylpropanedioic acid Traditional Name: 2-[(2-isopropyl-5-methyl-phenyl)thio]malonic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)SC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)SC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-7(2)9-5-4-8(3)6-10(9)18-11(12(14)15)13(16)17/h4-7,11H,1-3H3,(H,14,15)(H,16,17)