2-[4-(1-hydroxyethyl)-3-methyl-phenyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[4-(1-hydroxyethyl)-3-methyl-phenyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-hydroxy-2-[4-(1-hydroxyethyl)-3-methyl-phenyl]propanedioic acid CAS Name: 2-hydroxy-2-[4-(1-hydroxyethyl)-3-methylphenyl]propanedioic acid IUPAC Name: 2-hydroxy-2-[4-(1-hydroxyethyl)-3-methylphenyl]propanedioic acid Traditional Name: 2-hydroxy-2-[4-(1-hydroxyethyl)-3-methyl-phenyl]malonic acid Formula: C12H14O6 MolecularWeight: 254.23596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O6/c1-6-5-8(3-4-9(6)7(2)13)12(18,10(14)15)11(16)17/h3-5,7,13,18H,1-2H3,(H,14,15)(H,16,17)