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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C30H34O6 MolecularWeight: 490.58736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4)OCC

InChI

InChI=1S/C30H34O6/c1-3-34-25-10-9-22(14-26(25)35-4-2)28(32)23-7-5-6-8-24(23)29(33)36-18-27(31)30-15-19-11-20(16-30)13-21(12-19)17-30/h5-10,14,19-21H,3-4,11-13,15-18H2,1-2H3