(2E,9bR)-2-[1-[5-(3-azanylpropylamino)pentylamino]ethylidene]-6-ethanoyl-8,9b-dimethyl-7,9-bis(oxidanyl)dibenzofuran-1,3-dione; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2E,9bR)-2-[1-[5-(3-azanylpropylamino)pentylamino]ethylidene]-6-ethanoyl-8,9b-dimethyl-7,9-bis(oxidanyl)dibenzofuran-1,3-dione; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2E,9bR)-6-acetyl-2-[1-[5-(3-aminopropylamino)pentylamino]ethylidene]-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-dione; 2,2,2-trifluoroacetic acid CAS Name: (2E,9bR)-6-acetyl-2-[1-[5-(3-aminopropylamino)pentylamino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; 2,2,2-trifluoroacetic acid IUPAC Name: (2E,9bR)-6-acetyl-2-[1-[5-(3-aminopropylamino)pentylamino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione; 2,2,2-trifluoroacetic acid Traditional Name: (2E,9bR)-6-acetyl-2-[1-[5-(3-aminopropylamino)pentylamino]ethylidene]-7,9-dihydroxy-8,9b-dimethyl-dibenzofuran-1,3-quinone; 2,2,2-trifluoroacetic acid Formula: C28H36F3N3O8 MolecularWeight: 599.59595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(=C(C)NCCCCCNCCCN)C3=O)O2)C)C(=O)C)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NCCCCCNCCCN)/C3=O)O2)C)C(=O)C)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C26H35N3O6.C2HF3O2/c1-14-22(32)20(16(3)30)24-21(23(14)33)26(4)18(35-24)13-17(31)19(25(26)34)15(2)29-12-7-5-6-10-28-11-8-9-27;3-2(4,5)1(6)7/h13,28-29,32-33H,5-12,27H2,1-4H3;(H,6,7)/b19-15+;/t26-;/m0./s1