4-[(Z)-3,3,3-tris(fluoranyl)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-3,3,3-tris(fluoranyl)-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-3,3,3-trifluoro-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-3,3,3-trifluoro-2-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-3,3,3-trifluoro-2-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)prop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-3,3,3-trifluoro-2-(2,2,4,4-tetramethylthiochroman-6-yl)prop-1-enyl]benzoic acid Formula: C23H23F3O2S MolecularWeight: 420.48773

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)C(=CC3=CC=C(C=C3)C(=O)O)C(F)(F)F)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)/C(=C/C3=CC=C(C=C3)C(=O)O)/C(F)(F)F)(C)C)C

InChI

InChI=1S/C23H23F3O2S/c1-21(2)13-22(3,4)29-19-10-9-16(12-18(19)21)17(23(24,25)26)11-14-5-7-15(8-6-14)20(27)28/h5-12H,13H2,1-4H3,(H,27,28)/b17-11-