methanesulfonic acid; 2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-(5-tetracenylmethylamino)propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-(tetracen-5-ylmethylamino)propane-1,3-diol Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=C2C=CC=CC2=CC3=CC4=CC=CC=C4C=C31.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=C2C=CC=CC2=CC3=CC4=CC=CC=C4C=C31.CS(=O)(=O)O

InChI

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