5-[(2-chloranyl-6-methyl-phenoxy)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-chloranyl-6-methyl-phenoxy)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-chloro-6-methyl-phenoxy)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-chloro-6-methylphenoxy)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-chloro-6-methyl-phenoxy)methyl]-2-furoic acid Formula: C13H11ClO4 MolecularWeight: 266.67704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H11ClO4/c1-8-3-2-4-10(14)12(8)17-7-9-5-6-11(18-9)13(15)16/h2-6H,7H2,1H3,(H,15,16)