2-[1-(diethylamino)hexan-3-yl-methyl-amino]anthracene-9,10-dione; phosphono dihydrogen phosphate

Systemtic Name: 2-[1-(diethylamino)hexan-3-yl-methyl-amino]anthracene-9,10-dione; phosphono dihydrogen phosphate Openeye Name: 2-[1-(2-diethylaminoethyl)butyl-methyl-amino]anthracene-9,10-dione; phosphono dihydrogen phosphate CAS Name: 2-[1-(diethylamino)hexan-3-yl-methylamino]anthracene-9,10-dione; phosphono dihydrogen phosphate IUPAC Name: 2-[1-(diethylamino)hexan-3-yl-methylamino]anthracene-9,10-dione; phosphono dihydrogen phosphate Traditional Name: 2-[1-(2-diethylaminoethyl)butyl-methyl-amino]-9,10-anthraquinone; phosphono dihydrogen phosphate Formula: C25H36N2O9P2 MolecularWeight: 570.508862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCN(CC)CC)N(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CCCC(CCN(CC)CC)N(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C25H32N2O2.H4O7P2/c1-5-10-18(15-16-27(6-2)7-3)26(4)19-13-14-22-23(17-19)25(29)21-12-9-8-11-20(21)24(22)28;1-8(2,3)7-9(4,5)6/h8-9,11-14,17-18H,5-7,10,15-16H2,1-4H3;(H2,1,2,3)(H2,4,5,6)