6-(3,5-ditert-butyl-2-phenylmethoxy-phenyl)selanylpyridine-3-carboxylic acid

Systemtic Name: 6-(3,5-ditert-butyl-2-phenylmethoxy-phenyl)selanylpyridine-3-carboxylic acid Openeye Name: 6-(2-benzyloxy-3,5-ditert-butyl-phenyl)selanylpyridine-3-carboxylic acid CAS Name: 6-[(3,5-ditert-butyl-2-phenylmethoxyphenyl)seleno]-3-pyridinecarboxylic acid IUPAC Name: 6-(3,5-ditert-butyl-2-phenylmethoxyphenyl)selanylpyridine-3-carboxylic acid Traditional Name: 6-[(2-benzoxy-3,5-ditert-butyl-phenyl)seleno]nicotinic acid Formula: C27H31NO3Se MolecularWeight: 496.49994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)[Se]C2=NC=C(C=C2)C(=O)O)OCC3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)[Se]C2=NC=C(C=C2)C(=O)O)OCC3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C27H31NO3Se/c1-26(2,3)20-14-21(27(4,5)6)24(31-17-18-10-8-7-9-11-18)22(15-20)32-23-13-12-19(16-28-23)25(29)30/h7-16H,17H2,1-6H3,(H,29,30)