[2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H22O6 MolecularWeight: 346.37438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(C(=C4)O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

InChI=1S/C19H22O6/c20-14-4-13(5-15(21)17(14)23)18(24)25-9-16(22)19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12,20-21,23H,1-3,6-9H2