6-(phenylmethyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

Systemtic Name: 6-(phenylmethyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Openeye Name: 6-benzylsulfonyl-2-(trifluoromethyl)chromane-3-carboxylic acid CAS Name: 6-(phenylmethyl)sulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid IUPAC Name: 6-benzylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid Traditional Name: 6-benzylsulfonyl-2-(trifluoromethyl)chroman-3-carboxylic acid Formula: C18H15F3O5S MolecularWeight: 400.36891

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=C1C=C(C=C2)S(=O)(=O)CC3=CC=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1C(C(OC2=C1C=C(C=C2)S(=O)(=O)CC3=CC=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H15F3O5S/c19-18(20,21)16-14(17(22)23)9-12-8-13(6-7-15(12)26-16)27(24,25)10-11-4-2-1-3-5-11/h1-8,14,16H,9-10H2,(H,22,23)