ethyl 4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanylbenzoate

Systemtic Name: ethyl 4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanylbenzoate Openeye Name: ethyl 4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanylbenzoate CAS Name: 4-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]seleno]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]selanylbenzoate Traditional Name: 4-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]seleno]benzoic acid ethyl ester Formula: C30H38O5Se MolecularWeight: 557.57972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[Se]C2=C(C=C(C(=C2)C34CC5CC(C3)CC(C5)C4)OCOCCOC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[Se]C2=C(C=C(C(=C2)C34CC5CC(C3)CC(C5)C4)OCOCCOC)C

InChI

InChI=1S/C30H38O5Se/c1-4-34-29(31)24-5-7-25(8-6-24)36-28-15-26(27(11-20(28)2)35-19-33-10-9-32-3)30-16-21-12-22(17-30)14-23(13-21)18-30/h5-8,11,15,21-23H,4,9-10,12-14,16-19H2,1-3H3