[8-acetyloxy-6-(1H-benzimidazol-2-yl)-9,10-bis(oxidanylidene)anthracen-1-yl] ethanoate; methanesulfonic acid

Systemtic Name: [8-acetyloxy-6-(1H-benzimidazol-2-yl)-9,10-bis(oxidanylidene)anthracen-1-yl] ethanoate; methanesulfonic acid Openeye Name: [8-acetoxy-6-(1H-benzimidazol-2-yl)-9,10-dioxo-1-anthryl] acetate; methanesulfonic acid CAS Name: acetic acid [8-acetyloxy-6-(1H-benzimidazol-2-yl)-9,10-dioxo-1-anthracenyl] ester; methanesulfonic acid IUPAC Name: [8-acetyloxy-6-(1H-benzimidazol-2-yl)-9,10-dioxoanthracen-1-yl] acetate; methanesulfonic acid Traditional Name: acetic acid [8-acetoxy-6-(1H-benzimidazol-2-yl)-9,10-diketo-1-anthryl] ester; mesylic acid Formula: C26H20N2O9S MolecularWeight: 536.51

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C4=NC5=CC=CC=C5N4.CS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C4=NC5=CC=CC=C5N4.CS(=O)(=O)O

InChI

InChI=1S/C25H16N2O6.CH4O3S/c1-12(28)32-19-9-5-6-15-21(19)24(31)22-16(23(15)30)10-14(11-20(22)33-13(2)29)25-26-17-7-3-4-8-18(17)27-25;1-5(2,3)4/h3-11H,1-2H3,(H,26,27);1H3,(H,2,3,4)