ethyl (3aS,7R,7aR)-2-methyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate

Systemtic Name: ethyl (3aS,7R,7aR)-2-methyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Openeye Name: ethyl (3aS,7R,7aR)-2-methyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylate CAS Name: (3aS,7R,7aR)-2-methyl-7-(phenylseleno)-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,7R,7aR)-2-methyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Traditional Name: (3aS,7R,7aR)-2-methyl-7-(phenylseleno)-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid ethyl ester Formula: C18H22O3Se MolecularWeight: 365.32548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2C1CCCC2[Se]C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(O[C@@H]2[C@H]1CCC[C@H]2[Se]C3=CC=CC=C3)C

InChI

InChI=1S/C18H22O3Se/c1-3-20-18(19)16-12(2)21-17-14(16)10-7-11-15(17)22-13-8-5-4-6-9-13/h4-6,8-9,14-15,17H,3,7,10-11H2,1-2H3/t14-,15+,17+/m0/s1