(2S)-6-chloranyl-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: (2S)-6-chloranyl-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: (2S)-6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: (2S)-6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: (2S)-6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: (2S)-6-chloro-8-(4-mesylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H12ClF3O5S MolecularWeight: 432.79809

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2OC(C(=C3)C(=O)O)C(F)(F)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=CC3=C2O[C@@H](C(=C3)C(=O)O)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3O5S/c1-28(25,26)12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(23)24)16(18(20,21)22)27-15(10)13/h2-8,16H,1H3,(H,23,24)/t16-/m0/s1