2-(benzo[a]anthracen-7-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid

Systemtic Name: 2-(benzo[a]anthracen-7-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid Openeye Name: 2-(benzo[a]anthracen-7-ylmethylamino)-2-methyl-propane-1,3-diol; methanesulfonic acid CAS Name: 2-(7-benzo[a]anthracenylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid IUPAC Name: 2-(benzo[a]anthracen-7-ylmethylamino)-2-methylpropane-1,3-diol; methanesulfonic acid Traditional Name: 2-(benz[a]anthracen-7-ylmethylamino)-2-methyl-propane-1,3-diol; mesylic acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C41.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C41.CS(=O)(=O)O

InChI

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