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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C(C=C2N1)C(C)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C(C=C2N1)C(C)S(=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(5-11(9)18-12)7(2)24(20,21)22/h4-7,18H,3H2,1-2H3,(H,20,21,22)