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

Systemtic Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-oxidanylidene-ethanesulfonic acid Openeye Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-oxo-ethanesulfonic acid CAS Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)-6-indolyl]-2-oxoethanesulfonic acid IUPAC Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-oxoethanesulfonic acid Traditional Name: 1-[2-carbethoxy-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-keto-ethanesulfonic acid Formula: C15H14F3NO6S MolecularWeight: 393.33497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(C=C2N1C)C(C=O)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(C=C2N1C)C(C=O)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C15H14F3NO6S/c1-3-25-14(21)12-6-9-10(15(16,17)18)4-8(5-11(9)19(12)2)13(7-20)26(22,23)24/h4-7,13H,3H2,1-2H3,(H,22,23,24)