methanesulfonic acid; 5-nitro-2-[1-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylamino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: methanesulfonic acid; 5-nitro-2-[1-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propylamino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione Openeye Name: methanesulfonic acid; 2-[1-methyl-2-[2-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)propylamino]ethylamino]ethyl]-5-nitro-benzo[de]isoquinoline-1,3-dione CAS Name: methanesulfonic acid; 5-nitro-2-[1-[2-[2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)propylamino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione IUPAC Name: methanesulfonic acid; 5-nitro-2-[1-[2-[2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[2-[2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)propylamino]ethylamino]-1-methyl-ethyl]-5-nitro-benzo[de]isoquinoline-1,3-quinone; mesylic acid Formula: C34H36N6O14S2 MolecularWeight: 816.81144

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCNCC(C)N1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-].CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC(CNCCNCC(C)N1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-].CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C32H28N6O8.2CH4O3S/c1-17(35-29(39)23-7-3-5-19-11-21(37(43)44)13-25(27(19)23)31(35)41)15-33-9-10-34-16-18(2)36-30(40)24-8-4-6-20-12-22(38(45)46)14-26(28(20)24)32(36)42;2*1-5(2,3)4/h3-8,11-14,17-18,33-34H,9-10,15-16H2,1-2H3;2*1H3,(H,2,3,4)