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

Systemtic Name: 3-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxypropane-1-sulfonic acid Openeye Name: 3-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxypropane-1-sulfonic acid CAS Name: 3-[[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)-6-indolyl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[2-ethoxycarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]oxypropane-1-sulfonic acid Traditional Name: 3-[2-carbethoxy-1-methyl-4-(trifluoromethyl)indol-6-yl]oxypropane-1-sulfonic acid Formula: C16H18F3NO6S MolecularWeight: 409.37743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1C)C=C(C=C2C(F)(F)F)OCCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1C)C=C(C=C2C(F)(F)F)OCCCS(=O)(=O)O

InChI

InChI=1S/C16H18F3NO6S/c1-3-25-15(21)14-9-11-12(16(17,18)19)7-10(8-13(11)20(14)2)26-5-4-6-27(22,23)24/h7-9H,3-6H2,1-2H3,(H,22,23,24)