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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3,4-diethoxybenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C23H30O5 MolecularWeight: 386.4813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3)OCC

InChI

InChI=1S/C23H30O5/c1-3-26-19-6-5-18(10-20(19)27-4-2)22(25)28-14-21(24)23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17H,3-4,7-9,11-14H2,1-2H3