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

Systemtic Name: 4-butyl-7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]chromen-2-one Openeye Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]chromen-2-one CAS Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-1-benzopyran-2-one IUPAC Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]chromen-2-one Traditional Name: 4-butyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]coumarin Formula: C21H19ClO5 MolecularWeight: 386.82556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H19ClO5/c1-2-3-4-13-8-21(23)27-18-9-15(5-6-16(13)18)24-11-14-7-19-20(10-17(14)22)26-12-25-19/h5-10H,2-4,11-12H2,1H3