(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H17ClO6 MolecularWeight: 400.80908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H17ClO6/c1-12-6-18-15(9-16(12)22)14(8-21(24)28-18)10-25-20(23)5-3-13-2-4-17-19(7-13)27-11-26-17/h2,4,6-9H,3,5,10-11H2,1H3