(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4,7-dimethyl-2-oxo-chromen-3-yl)propanoate CAS Name: 3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)propanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(4,7-dimethyl-2-oxochromen-3-yl)propanoate Traditional Name: 3-(2-keto-4,7-dimethyl-chromen-3-yl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C23H21ClO6 MolecularWeight: 428.86224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(C(=O)O2)CCC(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4)C

InChI

InChI=1S/C23H21ClO6/c1-13-3-4-16-14(2)17(23(26)30-19(16)9-13)5-6-21(25)29-12-15-10-18(24)22-20(11-15)27-7-8-28-22/h3-4,9-11H,5-8,12H2,1-2H3