2-chloranyl-5-[5-(hydroxymethyl)furan-2-yl]benzoate

Systemtic Name: 2-chloranyl-5-[5-(hydroxymethyl)furan-2-yl]benzoate Openeye Name: 2-chloro-5-[5-(hydroxymethyl)-2-furyl]benzoate CAS Name: 2-chloro-5-[5-(hydroxymethyl)-2-furanyl]benzoate IUPAC Name: 2-chloro-5-[5-(hydroxymethyl)furan-2-yl]benzoate Traditional Name: 2-chloro-5-(5-methylol-2-furyl)benzoate Formula: C12H8ClO4- MolecularWeight: 251.64252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)CO)C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)CO)C(=O)[O-])Cl

InChI

InChI=1S/C12H9ClO4/c13-10-3-1-7(5-9(10)12(15)16)11-4-2-8(6-14)17-11/h1-5,14H,6H2,(H,15,16)/p-1