2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxyethanesulfonic acid

Systemtic Name: 2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxyethanesulfonic acid Openeye Name: 2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxyethanesulfonic acid CAS Name: 2-[[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)-6-indolyl]oxy]ethanesulfonic acid IUPAC Name: 2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxyethanesulfonic acid Traditional Name: 2-[2-carbethoxy-1-methyl-4-(trifluoromethyl)indol-6-yl]oxyethanesulfonic acid Formula: C15H16F3NO6S MolecularWeight: 395.35085

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C)C=C(C=C2C(F)(F)F)OCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C)C=C(C=C2C(F)(F)F)OCCS(=O)(=O)O

InChI

InChI=1S/C15H16F3NO6S/c1-3-24-14(20)13-8-10-11(15(16,17)18)6-9(7-12(10)19(13)2)25-4-5-26(21,22)23/h6-8H,3-5H2,1-2H3,(H,21,22,23)