(E)-5-[(6-bromanyl-4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]-3-methyl-pent-2-en-4-ynoic acid

Systemtic Name: (E)-5-[(6-bromanyl-4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]-3-methyl-pent-2-en-4-ynoic acid Openeye Name: (E)-5-(6-bromo-4,4-dimethyl-thiochroman-8-yl)selanyl-3-methyl-pent-2-en-4-ynoic acid CAS Name: (E)-5-[(6-bromo-4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)seleno]-3-methylpent-2-en-4-ynoic acid IUPAC Name: (E)-5-[(6-bromo-4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]-3-methylpent-2-en-4-ynoic acid Traditional Name: (E)-5-[(6-bromo-4,4-dimethyl-thiochroman-8-yl)seleno]-3-methyl-pent-2-en-4-ynoic acid Formula: C17H17BrO2SSe MolecularWeight: 444.24468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C#C[Se]C1=C2C(=CC(=C1)Br)C(CCS2)(C)C

Isomeric SMILES

C/C(=C\C(=O)O)/C#C[Se]C1=C2C(=CC(=C1)Br)C(CCS2)(C)C

InChI

InChI=1S/C17H17BrO2SSe/c1-11(8-15(19)20)4-7-22-14-10-12(18)9-13-16(14)21-6-5-17(13,2)3/h8-10H,5-6H2,1-3H3,(H,19,20)/b11-8+