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

Systemtic Name: 4-[2-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate Openeye Name: 4-[2-(4,4-dimethylthiochroman-8-yl)selanylethynyl]benzoate CAS Name: 4-[2-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)seleno]ethynyl]benzoate IUPAC Name: 4-[2-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]ethynyl]benzoate Traditional Name: 4-[2-[(4,4-dimethylthiochroman-8-yl)seleno]ethynyl]benzoate Formula: C20H17O2SSe- MolecularWeight: 400.37278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2[Se]C#CC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2[Se]C#CC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C20H18O2SSe/c1-20(2)11-12-23-18-16(20)4-3-5-17(18)24-13-10-14-6-8-15(9-7-14)19(21)22/h3-9H,11-12H2,1-2H3,(H,21,22)/p-1