4-[1,3-bis(oxidanyl)propan-2-yl]benzoic acid

Systemtic Name: 4-[1,3-bis(oxidanyl)propan-2-yl]benzoic acid Openeye Name: 4-[2-hydroxy-1-(hydroxymethyl)ethyl]benzoic acid CAS Name: 4-(1,3-dihydroxypropan-2-yl)benzoic acid IUPAC Name: 4-(1,3-dihydroxypropan-2-yl)benzoic acid Traditional Name: 4-(2-hydroxy-1-methylol-ethyl)benzoic acid Formula: C10H12O4 MolecularWeight: 196.19988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CO)CO)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CO)CO)C(=O)O

InChI

InChI=1S/C10H12O4/c11-5-9(6-12)7-1-3-8(4-2-7)10(13)14/h1-4,9,11-12H,5-6H2,(H,13,14)