5-[(2-chloranyl-4-methyl-phenyl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(2-chloranyl-4-methyl-phenyl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-chloro-4-methyl-phenyl)methyl]furan-2-carboxylic acid CAS Name: 5-[(2-chloro-4-methylphenyl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-chloro-4-methylphenyl)methyl]furan-2-carboxylic acid Traditional Name: 5-(2-chloro-4-methyl-benzyl)-2-furoic acid Formula: C13H11ClO3 MolecularWeight: 250.67764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=CC=C(O2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=CC=C(O2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClO3/c1-8-2-3-9(11(14)6-8)7-10-4-5-12(17-10)13(15)16/h2-6H,7H2,1H3,(H,15,16)