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

Systemtic Name: 7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-3-hexyl-4,8-dimethyl-chromen-2-one Openeye Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-hexyl-4,8-dimethyl-chromen-2-one CAS Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-hexyl-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-hexyl-4,8-dimethylchromen-2-one Traditional Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-hexyl-4,8-dimethyl-coumarin Formula: C25H27ClO5 MolecularWeight: 442.93188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC4=C(C=C3Cl)OCO4)C)OC1=O)C

Isomeric SMILES

CCCCCCC1=C(C2=C(C(=C(C=C2)OCC3=CC4=C(C=C3Cl)OCO4)C)OC1=O)C

InChI

InChI=1S/C25H27ClO5/c1-4-5-6-7-8-19-15(2)18-9-10-21(16(3)24(18)31-25(19)27)28-13-17-11-22-23(12-20(17)26)30-14-29-22/h9-12H,4-8,13-14H2,1-3H3