4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 4-(4-mesylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C18H13F3O5S MolecularWeight: 398.35303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(OC3=CC=CC=C32)C(F)(F)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(OC3=CC=CC=C32)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H13F3O5S/c1-27(24,25)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)26-16(18(19,20)21)15(14)17(22)23/h2-9,16H,1H3,(H,22,23)