3,4-dihydro-2H-chromene; propylamino tris(fluoranyl)methanesulfonate

Systemtic Name: 3,4-dihydro-2H-chromene; propylamino tris(fluoranyl)methanesulfonate Openeye Name: chromane; propylamino trifluoromethanesulfonate CAS Name: 3,4-dihydro-2H-1-benzopyran; trifluoromethanesulfonic acid propylamino ester IUPAC Name: 3,4-dihydro-2H-chromene; propylamino trifluoromethanesulfonate Traditional Name: chroman; trifluoromethanesulfonic acid propylamino ester Formula: C13H18F3NO4S MolecularWeight: 341.34653

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Descriptors Computed from Structure

Canonical SMILES:

CCCNOS(=O)(=O)C(F)(F)F.C1CC2=CC=CC=C2OC1

Isomeric SMILES

CCCNOS(=O)(=O)C(F)(F)F.C1CC2=CC=CC=C2OC1

InChI

InChI=1S/C9H10O.C4H8F3NO3S/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-3-8-11-12(9,10)4(5,6)7/h1-2,4,6H,3,5,7H2;8H,2-3H2,1H3