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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=CC5=C(C=C4Cl)OCO5

InChI

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