8-[2,2,2-tris(fluoranyl)ethanoylamino]pyrene-1,3,6-trisulfonate

Systemtic Name: 8-[2,2,2-tris(fluoranyl)ethanoylamino]pyrene-1,3,6-trisulfonate Openeye Name: 8-[(2,2,2-trifluoroacetyl)amino]pyrene-1,3,6-trisulfonate CAS Name: 8-[(2,2,2-trifluoro-1-oxoethyl)amino]pyrene-1,3,6-trisulfonate IUPAC Name: 8-[(2,2,2-trifluoroacetyl)amino]pyrene-1,3,6-trisulfonate Traditional Name: 8-[(2,2,2-trifluoroacetyl)amino]pyrene-1,3,6-trisulfonate Formula: C18H7F3NO10S3-3 MolecularWeight: 550.43909

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)NC(=O)C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])C=CC4=C(C=C(C1=C43)NC(=O)C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H10F3NO10S3/c19-18(20,21)17(23)22-11-5-12(33(24,25)26)8-3-4-10-14(35(30,31)32)6-13(34(27,28)29)9-2-1-7(11)15(8)16(9)10/h1-6H,(H,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)/p-3