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

Systemtic Name: 2-chloranyl-4-[5-(hydroxymethyl)furan-2-yl]benzoic acid Openeye Name: 2-chloro-4-[5-(hydroxymethyl)-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-(hydroxymethyl)-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-(hydroxymethyl)furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-(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=C1C2=CC=C(O2)CO)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)CO)Cl)C(=O)O

InChI

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