2-[[4-chloranyl-10-(2-hydroxyethyloxy)anthracen-9-yl]methylamino]-2-methyl-propane-1,3-diol; methanesulfonate

Systemtic Name: 2-[[4-chloranyl-10-(2-hydroxyethyloxy)anthracen-9-yl]methylamino]-2-methyl-propane-1,3-diol; methanesulfonate Openeye Name: 2-[[4-chloro-10-(2-hydroxyethoxy)-9-anthryl]methylamino]-2-methyl-propane-1,3-diol; methanesulfonate CAS Name: 2-[[4-chloro-10-(2-hydroxyethoxy)-9-anthracenyl]methylamino]-2-methylpropane-1,3-diol; methanesulfonate IUPAC Name: 2-[[4-chloro-10-(2-hydroxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol; methanesulfonate Traditional Name: 2-[[4-chloro-10-(2-hydroxyethoxy)-9-anthryl]methylamino]-2-methyl-propane-1,3-diol decamesylate Formula: C73H102Cl3N3O42S10-10 MolecularWeight: 2120.59488

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCCO)Cl.CC(CO)(CO)NCC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCCO)Cl.CC(CO)(CO)NCC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCCO)Cl.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC(CO)(CO)NCC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCCO)Cl.CC(CO)(CO)NCC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCCO)Cl.CC(CO)(CO)NCC1=C2C=CC=C(C2=C(C3=CC=CC=C31)OCCO)Cl.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/3C21H24ClNO4.10CH4O3S/c3*1-21(12-25,13-26)23-11-17-14-5-2-3-6-16(14)20(27-10-9-24)19-15(17)7-4-8-18(19)22;10*1-5(2,3)4/h3*2-8,23-26H,9-13H2,1H3;10*1H3,(H,2,3,4)/p-10