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

Systemtic Name: 7-[(6-chloranyl-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-3-(phenylmethyl)chromen-2-one Openeye Name: 3-benzyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-3-(phenylmethyl)-1-benzopyran-2-one IUPAC Name: 3-benzyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethylchromen-2-one Traditional Name: 3-benzyl-7-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-4,8-dimethyl-coumarin Formula: C26H21ClO5 MolecularWeight: 448.89494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC4=C(C=C3Cl)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3=CC4=C(C=C3Cl)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H21ClO5/c1-15-19-8-9-22(29-13-18-11-23-24(12-21(18)27)31-14-30-23)16(2)25(19)32-26(28)20(15)10-17-6-4-3-5-7-17/h3-9,11-12H,10,13-14H2,1-2H3