6-phenethylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Systemtic Name: 6-phenethylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Openeye Name: 6-phenethylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid CAS Name: 6-phenethylsulfonyl-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-phenethylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Traditional Name: 6-phenethylsulfonyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid Formula: C19H15F3O5S MolecularWeight: 412.37961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)C2=CC3=C(C=C2)OC(C(=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H15F3O5S/c20-19(21,22)17-15(18(23)24)11-13-10-14(6-7-16(13)27-17)28(25,26)9-8-12-4-2-1-3-5-12/h1-7,10-11,17H,8-9H2,(H,23,24)