2-ethynyl-4-(2,2,4,4-tetramethyl-3H-thiochromen-7-yl)benzoic acid

Systemtic Name: 2-ethynyl-4-(2,2,4,4-tetramethyl-3H-thiochromen-7-yl)benzoic acid Openeye Name: 2-ethynyl-4-(2,2,4,4-tetramethylthiochroman-7-yl)benzoic acid CAS Name: 2-ethynyl-4-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-7-yl)benzoic acid IUPAC Name: 2-ethynyl-4-(2,2,4,4-tetramethyl-3H-thiochromen-7-yl)benzoic acid Traditional Name: 2-ethynyl-4-(2,2,4,4-tetramethylthiochroman-7-yl)benzoic acid Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)C#C)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=CC(=C2)C3=CC(=C(C=C3)C(=O)O)C#C)(C)C)C

InChI

InChI=1S/C22H22O2S/c1-6-14-11-15(7-9-17(14)20(23)24)16-8-10-18-19(12-16)25-22(4,5)13-21(18,2)3/h1,7-12H,13H2,2-5H3,(H,23,24)