7-chloranyl-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxylic acid

Systemtic Name: 7-chloranyl-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxylic acid Openeye Name: 7-chloro-1-oxo-4-(p-tolyl)isochromene-3-carboxylic acid CAS Name: 7-chloro-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxylic acid IUPAC Name: 7-chloro-4-(4-methylphenyl)-1-oxoisochromene-3-carboxylic acid Traditional Name: 7-chloro-1-keto-4-(p-tolyl)isochromene-3-carboxylic acid Formula: C17H11ClO4 MolecularWeight: 314.71984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C17H11ClO4/c1-9-2-4-10(5-3-9)14-12-7-6-11(18)8-13(12)17(21)22-15(14)16(19)20/h2-8H,1H3,(H,19,20)