4-butyl-7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-8-methyl-chromen-2-one

Systemtic Name: 4-butyl-7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-8-methyl-chromen-2-one Openeye Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-8-methyl-chromen-2-one CAS Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-8-methyl-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-8-methylchromen-2-one Traditional Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-8-methyl-coumarin Formula: C22H21ClO5 MolecularWeight: 400.85214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC3=CC4=C(C=C3Cl)OCO4

InChI

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