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

Systemtic Name: 1,4-bis[2-(1-hydroxyethylamino)ethylamino]anthracene-9,10-dione; ethanoic acid Openeye Name: acetic acid; 1,4-bis[2-(1-hydroxyethylamino)ethylamino]anthracene-9,10-dione CAS Name: acetic acid; 1,4-bis[2-(1-hydroxyethylamino)ethylamino]anthracene-9,10-dione IUPAC Name: acetic acid; 1,4-bis[2-(1-hydroxyethylamino)ethylamino]anthracene-9,10-dione Traditional Name: acetic acid; 1,4-bis[2-(1-hydroxyethylamino)ethylamino]-9,10-anthraquinone Formula: C26H36N4O8 MolecularWeight: 532.58604

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCCNC1=C2C(=C(C=C1)NCCNC(C)O)C(=O)C3=CC=CC=C3C2=O)O.CC(=O)O.CC(=O)O

Isomeric SMILES

CC(NCCNC1=C2C(=C(C=C1)NCCNC(C)O)C(=O)C3=CC=CC=C3C2=O)O.CC(=O)O.CC(=O)O

InChI

InChI=1S/C22H28N4O4.2C2H4O2/c1-13(27)23-9-11-25-17-7-8-18(26-12-10-24-14(2)28)20-19(17)21(29)15-5-3-4-6-16(15)22(20)30;2*1-2(3)4/h3-8,13-14,23-28H,9-12H2,1-2H3;2*1H3,(H,3,4)