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

Systemtic Name: 4-butyl-6-chloranyl-7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]chromen-2-one Openeye Name: 4-butyl-6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]chromen-2-one CAS Name: 4-butyl-6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]chromen-2-one Traditional Name: 4-butyl-6-chloro-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]coumarin Formula: C21H18Cl2O5 MolecularWeight: 421.27062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H18Cl2O5/c1-2-3-4-12-6-21(24)28-17-9-18(16(23)7-14(12)17)25-10-13-5-19-20(8-15(13)22)27-11-26-19/h5-9H,2-4,10-11H2,1H3