(E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-methyl-pent-2-en-4-ynoic acid

Systemtic Name: (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-methyl-pent-2-en-4-ynoic acid Openeye Name: (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-methyl-pent-2-en-4-ynoic acid CAS Name: (E)-5-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]seleno]-3-methylpent-2-en-4-ynoic acid IUPAC Name: (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]selanyl-3-methylpent-2-en-4-ynoic acid Traditional Name: (E)-5-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]seleno]-3-methyl-pent-2-en-4-ynoic acid Formula: C27H34O5Se MolecularWeight: 517.51586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34O5Se/c1-18(8-26(28)29)4-7-33-25-13-23(24(9-19(25)2)32-17-31-6-5-30-3)27-14-20-10-21(15-27)12-22(11-20)16-27/h8-9,13,20-22H,5-6,10-12,14-17H2,1-3H3,(H,28,29)/b18-8+