4-(2-chloranyl-4-methyl-phenyl)-4H-1,3-benzodioxine-2-carboxylic acid

Systemtic Name: 4-(2-chloranyl-4-methyl-phenyl)-4H-1,3-benzodioxine-2-carboxylic acid Openeye Name: 4-(2-chloro-4-methyl-phenyl)-4H-1,3-benzodioxine-2-carboxylic acid CAS Name: 4-(2-chloro-4-methylphenyl)-4H-1,3-benzodioxin-2-carboxylic acid IUPAC Name: 4-(2-chloro-4-methylphenyl)-4H-1,3-benzodioxine-2-carboxylic acid Traditional Name: 4-(2-chloro-4-methyl-phenyl)-4H-1,3-benzodioxin-2-carboxylic acid Formula: C16H13ClO4 MolecularWeight: 304.72502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C3=CC=CC=C3OC(O2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2C3=CC=CC=C3OC(O2)C(=O)O)Cl

InChI

InChI=1S/C16H13ClO4/c1-9-6-7-10(12(17)8-9)14-11-4-2-3-5-13(11)20-16(21-14)15(18)19/h2-8,14,16H,1H3,(H,18,19)