methyl 4-[(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl)oxymethyl]benzoate Openeye Name: methyl 4-[(4-butyl-6-chloro-2-oxo-chromen-7-yl)oxymethyl]benzoate CAS Name: 4-[(4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-butyl-6-chloro-2-oxochromen-7-yl)oxymethyl]benzoate Traditional Name: 4-[(4-butyl-6-chloro-2-keto-chromen-7-yl)oxymethyl]benzoic acid methyl ester Formula: C22H21ClO5 MolecularWeight: 400.85214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21ClO5/c1-3-4-5-16-10-21(24)28-19-12-20(18(23)11-17(16)19)27-13-14-6-8-15(9-7-14)22(25)26-2/h6-12H,3-5,13H2,1-2H3