2-(benzo[a]anthracen-6-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid

Systemtic Name: 2-(benzo[a]anthracen-6-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid Openeye Name: 2-(benzo[a]anthracen-6-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid CAS Name: 2-(6-benzo[a]anthracenylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid IUPAC Name: 2-(benzo[a]anthracen-6-ylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid Traditional Name: 2-(benz[a]anthracen-6-ylmethylamino)-2-methyl-propane-1,3-diol; mesylic acid Formula: C24H27NO5S MolecularWeight: 441.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=CC=CC=C2C3=CC4=CC=CC=C4C=C13.CS(=O)(=O)O

InChI

InChI=1S/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-19-10-18-8-4-5-9-20(18)22-12-17-7-3-2-6-16(17)11-21(19)22;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4)