[6-tert-butyl-2-(trifluoromethyl)-2H-thiochromen-3-yl] hydrogen carbonate

Systemtic Name: [6-tert-butyl-2-(trifluoromethyl)-2H-thiochromen-3-yl] hydrogen carbonate Openeye Name: [6-tert-butyl-2-(trifluoromethyl)-2H-thiochromen-3-yl] hydrogen carbonate CAS Name: carbonic acid [6-tert-butyl-2-(trifluoromethyl)-2H-1-benzothiopyran-3-yl] ester IUPAC Name: [6-tert-butyl-2-(trifluoromethyl)-2H-thiochromen-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-tert-butyl-2-(trifluoromethyl)-2H-thiochromen-3-yl] ester Formula: C15H15F3O3S MolecularWeight: 332.33801

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)SC(C(=C2)OC(=O)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)SC(C(=C2)OC(=O)O)C(F)(F)F

InChI

InChI=1S/C15H15F3O3S/c1-14(2,3)9-4-5-11-8(6-9)7-10(21-13(19)20)12(22-11)15(16,17)18/h4-7,12H,1-3H3,(H,19,20)