4-chloranyl-3-[5-(hydroxymethyl)furan-2-yl]benzoic acid

Systemtic Name: 4-chloranyl-3-[5-(hydroxymethyl)furan-2-yl]benzoic acid Openeye Name: 4-chloro-3-[5-(hydroxymethyl)-2-furyl]benzoic acid CAS Name: 4-chloro-3-[5-(hydroxymethyl)-2-furanyl]benzoic acid IUPAC Name: 4-chloro-3-[5-(hydroxymethyl)furan-2-yl]benzoic acid Traditional Name: 4-chloro-3-(5-methylol-2-furyl)benzoic acid Formula: C12H9ClO4 MolecularWeight: 252.65046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)CO)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)CO)Cl

InChI

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