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

Systemtic Name: methanesulfonic acid; 5-nitro-2-[2-[2-[2-[5-nitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]ethylamino]ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: methanesulfonic acid; 5-nitro-2-[2-[2-[2-(5-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)ethylamino]ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: methanesulfonic acid; 5-nitro-2-[2-[2-[2-(5-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)ethylamino]ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: methanesulfonic acid; 5-nitro-2-[2-[2-[2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[2-[2-(1,3-diketo-5-nitro-benzo[de]isoquinolin-2-yl)ethylamino]ethylamino]ethyl]-5-nitro-benzo[de]isoquinoline-1,3-quinone; mesylic acid Formula: C32H32N6O14S2 MolecularWeight: 788.75828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCNCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCNCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H24N6O8.2CH4O3S/c37-27-21-5-1-3-17-13-19(35(41)42)15-23(25(17)21)29(39)33(27)11-9-31-7-8-32-10-12-34-28(38)22-6-2-4-18-14-20(36(43)44)16-24(26(18)22)30(34)40;2*1-5(2,3)4/h1-6,13-16,31-32H,7-12H2;2*1H3,(H,2,3,4)