(6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-carboxylate

Systemtic Name: (6-chloranyl-3-hexyl-4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-carboxylate Openeye Name: (6-chloro-3-hexyl-4-methyl-2-oxo-chromen-7-yl) furan-2-carboxylate CAS Name: 2-furancarboxylic acid (6-chloro-3-hexyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-3-hexyl-4-methyl-2-oxochromen-7-yl) furan-2-carboxylate Traditional Name: furan-2-carboxylic acid (6-chloro-3-hexyl-2-keto-4-methyl-chromen-7-yl) ester Formula: C21H21ClO5 MolecularWeight: 388.84144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3=CC=CO3)Cl)C

Isomeric SMILES

CCCCCCC1=C(C2=CC(=C(C=C2OC1=O)OC(=O)C3=CC=CO3)Cl)C

InChI

InChI=1S/C21H21ClO5/c1-3-4-5-6-8-14-13(2)15-11-16(22)19(12-18(15)26-20(14)23)27-21(24)17-9-7-10-25-17/h7,9-12H,3-6,8H2,1-2H3