1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-3-oxidanylidene-propane-1-sulfonic acid

Systemtic Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-3-oxidanylidene-propane-1-sulfonic acid Openeye Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-3-oxo-propane-1-sulfonic acid CAS Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)-6-indolyl]-3-oxo-1-propanesulfonic acid IUPAC Name: 1-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-3-oxopropane-1-sulfonic acid Traditional Name: 1-[2-carbethoxy-1-methyl-4-(trifluoromethyl)indol-6-yl]-3-keto-propane-1-sulfonic acid Formula: C16H16F3NO6S MolecularWeight: 407.36155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F3NO6S/c1-3-26-15(22)13-8-10-11(16(17,18)19)6-9(7-12(10)20(13)2)14(4-5-21)27(23,24)25/h5-8,14H,3-4H2,1-2H3,(H,23,24,25)