4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanylbenzoic acid

Systemtic Name: 4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanylbenzoic acid Openeye Name: 4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanylbenzoic acid CAS Name: 4-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]seleno]benzoic acid IUPAC Name: 4-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]selanylbenzoic acid Traditional Name: 4-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]seleno]benzoic acid Formula: C28H34O5Se MolecularWeight: 529.52656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCOCCOC)C23CC4CC(C2)CC(C4)C3)[Se]C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCOCCOC)C23CC4CC(C2)CC(C4)C3)[Se]C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H34O5Se/c1-18-9-25(33-17-32-8-7-31-2)24(28-14-19-10-20(15-28)12-21(11-19)16-28)13-26(18)34-23-5-3-22(4-6-23)27(29)30/h3-6,9,13,19-21H,7-8,10-12,14-17H2,1-2H3,(H,29,30)