methyl 4-[2-[(6-bromanyl-4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate

Systemtic Name: methyl 4-[2-[(6-bromanyl-4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate Openeye Name: methyl 4-[2-(6-bromo-4,4-dimethyl-thiochroman-8-yl)selanylethynyl]benzoate CAS Name: 4-[2-[(6-bromo-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)seleno]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(6-bromo-4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate Traditional Name: 4-[2-[(6-bromo-4,4-dimethyl-thiochroman-8-yl)seleno]ethynyl]benzoic acid methyl ester Formula: C21H19BrO2SSe MolecularWeight: 494.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C(C=C(C=C21)Br)[Se]C#CC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=C(C=C(C=C21)Br)[Se]C#CC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H19BrO2SSe/c1-21(2)9-10-25-19-17(21)12-16(22)13-18(19)26-11-8-14-4-6-15(7-5-14)20(23)24-3/h4-7,12-13H,9-10H2,1-3H3