[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28O6/c1-25-17-7-16(8-18(26-2)20(17)27-3)21(24)28-12-19(23)22-9-13-4-14(10-22)6-15(5-13)11-22/h7-8,13-15H,4-6,9-12H2,1-3H3