(4-oxidanylidene-1-adamantyl) 3,4,5-trimethoxybenzoate

Systemtic Name: (4-oxidanylidene-1-adamantyl) 3,4,5-trimethoxybenzoate Openeye Name: (4-oxo-1-adamantyl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid (4-oxo-1-adamantyl) ester IUPAC Name: (4-oxo-1-adamantyl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (4-keto-1-adamantyl) ester Formula: C20H24O6 MolecularWeight: 360.40096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC23CC4CC(C2)C(=O)C(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC23CC4CC(C2)C(=O)C(C4)C3

InChI

InChI=1S/C20H24O6/c1-23-15-6-12(7-16(24-2)18(15)25-3)19(22)26-20-8-11-4-13(9-20)17(21)14(5-11)10-20/h6-7,11,13-14H,4-5,8-10H2,1-3H3