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

Systemtic Name: 4-[5-(1-adamantyl)-2-methyl-4-phenylmethoxy-phenyl]selanylbenzoic acid Openeye Name: 4-[5-(1-adamantyl)-4-benzyloxy-2-methyl-phenyl]selanylbenzoic acid CAS Name: 4-[[5-(1-adamantyl)-2-methyl-4-phenylmethoxyphenyl]seleno]benzoic acid IUPAC Name: 4-[5-(1-adamantyl)-2-methyl-4-phenylmethoxyphenyl]selanylbenzoic acid Traditional Name: 4-[[5-(1-adamantyl)-4-benzoxy-2-methyl-phenyl]seleno]benzoic acid Formula: C31H32O3Se MolecularWeight: 531.54398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)[Se]C6=CC=C(C=C6)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)OCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4)[Se]C6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C31H32O3Se/c1-20-11-28(34-19-21-5-3-2-4-6-21)27(31-16-22-12-23(17-31)14-24(13-22)18-31)15-29(20)35-26-9-7-25(8-10-26)30(32)33/h2-11,15,22-24H,12-14,16-19H2,1H3,(H,32,33)