ethyl 2-but-3-enyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-but-3-enyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-but-3-enyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylate CAS Name: 2-but-3-enyl-7-(phenylseleno)-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-but-3-enyl-7-phenylselanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-carboxylate Traditional Name: 2-but-3-enyl-7-(phenylseleno)-3a,4,5,6,7,7a-hexahydrobenzofuran-3-carboxylic acid ethyl ester Formula: C21H26O3Se MolecularWeight: 405.38934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O3Se/c1-3-5-13-17-19(21(22)23-4-2)16-12-9-14-18(20(16)24-17)25-15-10-7-6-8-11-15/h3,6-8,10-11,16,18,20H,1,4-5,9,12-14H2,2H3