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

Systemtic Name: [2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]methanesulfonic acid Openeye Name: [2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]methanesulfonic acid CAS Name: [2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)-6-indolyl]methanesulfonic acid IUPAC Name: [2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]methanesulfonic acid Traditional Name: [2-carbethoxy-1-methyl-4-(trifluoromethyl)indol-6-yl]methanesulfonic acid Formula: C14H14F3NO5S MolecularWeight: 365.32487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3NO5S/c1-3-23-13(19)12-6-9-10(14(15,16)17)4-8(7-24(20,21)22)5-11(9)18(12)2/h4-6H,3,7H2,1-2H3,(H,20,21,22)