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

Systemtic Name: (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-phenyl-pent-2-en-4-ynoic acid Openeye Name: (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]selanyl-3-phenyl-pent-2-en-4-ynoic acid CAS Name: (E)-5-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]seleno]-3-phenylpent-2-en-4-ynoic acid IUPAC Name: (E)-5-[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methylphenyl]selanyl-3-phenylpent-2-en-4-ynoic acid Traditional Name: (E)-5-[[5-(1-adamantyl)-4-(2-methoxyethoxymethoxy)-2-methyl-phenyl]seleno]-3-phenyl-pent-2-en-4-ynoic acid Formula: C32H36O5Se MolecularWeight: 579.58524

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C32H36O5Se/c1-22-12-29(37-21-36-10-9-35-2)28(32-18-23-13-24(19-32)15-25(14-23)20-32)17-30(22)38-11-8-27(16-31(33)34)26-6-4-3-5-7-26/h3-7,12,16-17,23-25H,9-10,13-15,18-21H2,1-2H3,(H,33,34)/b27-16-