3-[[(2S)-2-methyl-3-oxidanyl-3-oxidanylidene-propoxy]methyl]-4-oxidanyl-benzoic acid

Systemtic Name: 3-[[(2S)-2-methyl-3-oxidanyl-3-oxidanylidene-propoxy]methyl]-4-oxidanyl-benzoic acid Openeye Name: 4-hydroxy-3-[[(2S)-3-hydroxy-2-methyl-3-oxo-propoxy]methyl]benzoic acid CAS Name: 4-hydroxy-3-[[(2S)-3-hydroxy-2-methyl-3-oxopropoxy]methyl]benzoic acid IUPAC Name: 4-hydroxy-3-[[(2S)-3-hydroxy-2-methyl-3-oxopropoxy]methyl]benzoic acid Traditional Name: 4-hydroxy-3-[[(2S)-3-hydroxy-3-keto-2-methyl-propoxy]methyl]benzoic acid Formula: C12H14O6 MolecularWeight: 254.23596

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=C(C=CC(=C1)C(=O)O)O)C(=O)O

Isomeric SMILES

C[C@@H](COCC1=C(C=CC(=C1)C(=O)O)O)C(=O)O

InChI

InChI=1S/C12H14O6/c1-7(11(14)15)5-18-6-9-4-8(12(16)17)2-3-10(9)13/h2-4,7,13H,5-6H2,1H3,(H,14,15)(H,16,17)/t7-/m0/s1