(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)O)OC

InChI

InChI=1S/C22H22O7/c1-13(2)11-27-18-7-4-14(8-20(18)26-3)22(25)28-12-15-9-21(24)29-19-10-16(23)5-6-17(15)19/h4-10,13,23H,11-12H2,1-3H3