[4-[(7-azanyl-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-oxidanyl-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-[(7-azanyl-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-oxidanyl-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-(7-amino-5-methyl-indan-4-yl)oxy-2-ethyl-3-hydroxy-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-hydroxyphenyl] ester IUPAC Name: [4-[(7-amino-5-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-2-ethyl-3-hydroxyphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-(7-amino-5-methyl-indan-4-yl)oxy-2-ethyl-3-hydroxy-phenyl] ester Formula: C19H20F3NO5S MolecularWeight: 431.42601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1O)OC2=C3CCCC3=C(C=C2C)N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCC1=C(C=CC(=C1O)OC2=C3CCCC3=C(C=C2C)N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C19H20F3NO5S/c1-3-11-15(28-29(25,26)19(20,21)22)7-8-16(17(11)24)27-18-10(2)9-14(23)12-5-4-6-13(12)18/h7-9,24H,3-6,23H2,1-2H3