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

Systemtic Name: 7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4-methyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-chromen-2-one CAS Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methylchromen-2-one Traditional Name: 3-benzyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4-methyl-coumarin Formula: C25H19ClO5 MolecularWeight: 434.86836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC4=C(C=C3Cl)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC4=C(C=C3Cl)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H19ClO5/c1-15-19-8-7-18(28-13-17-10-23-24(12-21(17)26)30-14-29-23)11-22(19)31-25(27)20(15)9-16-5-3-2-4-6-16/h2-8,10-12H,9,13-14H2,1H3