1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; ethanoic acid; iodide

Systemtic Name: 1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; ethanoic acid; iodide Openeye Name: acetic acid; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; iodide CAS Name: acetic acid; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; iodide IUPAC Name: acetic acid; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione; iodide Traditional Name: acetic acid; 1,4-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone; iodide Formula: C26H36IN4O8- MolecularWeight: 659.49051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO.[I-]

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO.[I-]

InChI

InChI=1S/C22H28N4O4.2C2H4O2.HI/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30;2*1-2(3)4;/h1-6,23-28H,7-14H2;2*1H3,(H,3,4);1H/p-1