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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3O5S/c19-18(20,21)16-14(17(22)23)15(12-8-4-5-9-13(12)26-16)27(24,25)10-11-6-2-1-3-7-11/h1-9,16H,10H2,(H,22,23)