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

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

Systemtic Name:2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]ethanesulfonic acid
Openeye Name:2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]ethanesulfonic acid
CAS Name:2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)-6-indolyl]ethanesulfonic acid
IUPAC Name:2-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]ethanesulfonic acid
Traditional Name:2-[2-carbethoxy-1-methyl-4-(trifluoromethyl)indol-6-yl]ethanesulfonic acid
Formula: C15H16F3NO5S
MolecularWeight: 379.35145
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H16F3NO5S/c1-3-24-14(20)13-8-10-11(15(16,17)18)6-9(4-5-25(21,22)23)7-12(10)19(13)2/h6-8H,3-5H2,1-2H3,(H,21,22,23)


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