4-ethoxy-4-oxidanylidene-2-[4-(trifluoromethyl)-1H-indol-6-yl]butane-2-sulfonic acid

Systemtic Name: 4-ethoxy-4-oxidanylidene-2-[4-(trifluoromethyl)-1H-indol-6-yl]butane-2-sulfonic acid Openeye Name: 4-ethoxy-4-oxo-2-[4-(trifluoromethyl)-1H-indol-6-yl]butane-2-sulfonic acid CAS Name: 4-ethoxy-4-oxo-2-[4-(trifluoromethyl)-1H-indol-6-yl]-2-butanesulfonic acid IUPAC Name: 4-ethoxy-4-oxo-2-[4-(trifluoromethyl)-1H-indol-6-yl]butane-2-sulfonic acid Traditional Name: 4-ethoxy-4-keto-2-[4-(trifluoromethyl)-1H-indol-6-yl]butane-2-sulfonic acid Formula: C15H16F3NO5S MolecularWeight: 379.35145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C1=CC(=C2C=CNC2=C1)C(F)(F)F)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)CC(C)(C1=CC(=C2C=CNC2=C1)C(F)(F)F)S(=O)(=O)O

InChI

InChI=1S/C15H16F3NO5S/c1-3-24-13(20)8-14(2,25(21,22)23)9-6-11(15(16,17)18)10-4-5-19-12(10)7-9/h4-7,19H,3,8H2,1-2H3,(H,21,22,23)