methyl 6-chloranyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-1H-indene-2-carboxylate

Systemtic Name: methyl 6-chloranyl-3-oxidanylidene-2-(3-oxidanylidenebutyl)-1H-indene-2-carboxylate Openeye Name: methyl 5-chloro-1-oxo-2-(3-oxobutyl)indane-2-carboxylate CAS Name: 6-chloro-3-oxo-2-(3-oxobutyl)-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-3-oxo-2-(3-oxobutyl)-1H-indene-2-carboxylate Traditional Name: 5-chloro-1-keto-2-(3-ketobutyl)indane-2-carboxylic acid methyl ester Formula: C15H15ClO4 MolecularWeight: 294.7302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1(CC2=C(C1=O)C=CC(=C2)Cl)C(=O)OC

Isomeric SMILES

CC(=O)CCC1(CC2=C(C1=O)C=CC(=C2)Cl)C(=O)OC

InChI

InChI=1S/C15H15ClO4/c1-9(17)5-6-15(14(19)20-2)8-10-7-11(16)3-4-12(10)13(15)18/h3-4,7H,5-6,8H2,1-2H3