3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 3,4,5-trimethoxybenzoate

Systemtic Name: 3-(6,7-dimethoxy-1-oxidanylidene-isochromen-3-yl)propyl 3,4,5-trimethoxybenzoate Openeye Name: 3-(6,7-dimethoxy-1-oxo-isochromen-3-yl)propyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 3-(6,7-dimethoxy-1-oxo-2-benzopyran-3-yl)propyl ester IUPAC Name: 3-(6,7-dimethoxy-1-oxoisochromen-3-yl)propyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 3-(1-keto-6,7-dimethoxy-isochromen-3-yl)propyl ester Formula: C24H26O9 MolecularWeight: 458.45784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2=CC3=CC(=C(C=C3C(=O)O2)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCCC2=CC3=CC(=C(C=C3C(=O)O2)OC)OC

InChI

InChI=1S/C24H26O9/c1-27-18-10-14-9-16(33-24(26)17(14)13-19(18)28-2)7-6-8-32-23(25)15-11-20(29-3)22(31-5)21(12-15)30-4/h9-13H,6-8H2,1-5H3