1,4-bis(2-dimethylaminoethylamino)-5,8-bis(oxidanyl)anthracene-9,10-dione dihydrochloride

Systemtic Name: 1,4-bis(2-dimethylaminoethylamino)-5,8-bis(oxidanyl)anthracene-9,10-dione dihydrochloride Openeye Name: 1,4-bis(2-dimethylaminoethylamino)-5,8-dihydroxy-anthracene-9,10-dione dihydrochloride CAS Name: 1,4-bis(2-dimethylaminoethylamino)-5,8-dihydroxyanthracene-9,10-dione dihydrochloride IUPAC Name: 1,4-bis(2-dimethylaminoethylamino)-5,8-dihydroxyanthracene-9,10-dione dihydrochloride Traditional Name: 1,4-bis(2-dimethylaminoethylamino)-5,8-dihydroxy-9,10-anthraquinone dihydrochloride Formula: C22H30Cl2N4O4 MolecularWeight: 485.404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O.Cl.Cl

Isomeric SMILES

CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O.Cl.Cl

InChI

InChI=1S/C22H28N4O4.2ClH/c1-25(2)11-9-23-13-5-6-14(24-10-12-26(3)4)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30;;/h5-8,23-24,27-28H,9-12H2,1-4H3;2*1H