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

Systemtic Name: 4-[1,4-bis(oxidanyl)butan-2-yl]benzoic acid Openeye Name: 4-[3-hydroxy-1-(hydroxymethyl)propyl]benzoic acid CAS Name: 4-(1,4-dihydroxybutan-2-yl)benzoic acid IUPAC Name: 4-(1,4-dihydroxybutan-2-yl)benzoic acid Traditional Name: 4-(3-hydroxy-1-methylol-propyl)benzoic acid Formula: C11H14O4 MolecularWeight: 210.22646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4/c12-6-5-10(7-13)8-1-3-9(4-2-8)11(14)15/h1-4,10,12-13H,5-7H2,(H,14,15)