4-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]benzoic acid

Systemtic Name: 4-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]benzoic acid Openeye Name: 4-[2-(2,2,4,4,7-pentamethylthiochroman-6-yl)ethynyl]benzoic acid CAS Name: 4-[2-(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)ethynyl]benzoic acid IUPAC Name: 4-[2-(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)ethynyl]benzoic acid Traditional Name: 4-[2-(2,2,4,4,7-pentamethylthiochroman-6-yl)ethynyl]benzoic acid Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CC(S2)(C)C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=CC=C(C=C3)C(=O)O)C(CC(S2)(C)C)(C)C

InChI

InChI=1S/C23H24O2S/c1-15-12-20-19(22(2,3)14-23(4,5)26-20)13-18(15)11-8-16-6-9-17(10-7-16)21(24)25/h6-7,9-10,12-13H,14H2,1-5H3,(H,24,25)