2-(1-oxidanylideneisochromen-3-yl)ethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-(1-oxidanylideneisochromen-3-yl)ethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-(1-oxoisochromen-3-yl)ethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-(1-oxo-2-benzopyran-3-yl)ethyl ester IUPAC Name: 2-(1-oxoisochromen-3-yl)ethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-(1-ketoisochromen-3-yl)ethyl ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCC2=CC3=CC=CC=C3C(=O)O2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCC2=CC3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C21H20O7/c1-24-17-11-14(12-18(25-2)19(17)26-3)20(22)27-9-8-15-10-13-6-4-5-7-16(13)21(23)28-15/h4-7,10-12H,8-9H2,1-3H3