[2-[2-[[4-[2-(2-azaniumylethanoylamino)ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-2-oxidanylidene-ethyl]azanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [2-[2-[[4-[2-(2-azaniumylethanoylamino)ethylamino]-5,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]ethylamino]-2-oxidanylidene-ethyl]azanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [2-[2-[[4-[2-[(2-azaniumylacetyl)amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]-2-oxo-ethyl]ammonium; 2,2,2-trifluoroacetate CAS Name: [2-[2-[[4-[2-[(2-ammonio-1-oxoethyl)amino]ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthracenyl]amino]ethylamino]-2-oxoethyl]ammonium; 2,2,2-trifluoroacetate IUPAC Name: [2-[2-[[4-[2-[(2-azaniumylacetyl)amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]-2-oxoethyl]azanium; 2,2,2-trifluoroacetate Traditional Name: [2-[2-[[4-[2-[(2-ammonioacetyl)amino]ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]-2-keto-ethyl]ammonium; 2,2,2-trifluoroacetate Formula: C26H28F6N6O10 MolecularWeight: 698.525139

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1NCCNC(=O)C[NH3+])C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)C[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1NCCNC(=O)C[NH3+])C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)C[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H26N6O6.2C2HF3O2/c23-9-15(31)27-7-5-25-11-1-2-12(26-6-8-28-16(32)10-24)18-17(11)21(33)19-13(29)3-4-14(30)20(19)22(18)34;2*3-2(4,5)1(6)7/h1-4,25-26,29-30H,5-10,23-24H2,(H,27,31)(H,28,32);2*(H,6,7)