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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H18O7 MolecularWeight: 382.36342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H18O7/c1-12-16(22)5-4-15-14(9-20(24)28-21(12)15)10-25-19(23)7-3-13-2-6-17-18(8-13)27-11-26-17/h2,4-6,8-9,22H,3,7,10-11H2,1H3