methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzofuran-1-ylmethylamino)propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzofuran-1-ylmethylamino)propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b]benzofuran-1-ylmethylamino)propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-(1-naphtho[2,1-b]benzofuranylmethylamino)propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-(naphtho[2,1-b][1]benzofuran-1-ylmethylamino)propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-(naphtho[2,1-b]benzofuran-1-ylmethylamino)propane-1,3-diol Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC=CC2=C1C3=C(C=C2)OC4=CC=CC=C43.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC=CC2=C1C3=C(C=C2)OC4=CC=CC=C43.CS(=O)(=O)O

InChI

InChI=1S/C21H21NO3.CH4O3S/c1-21(12-23,13-24)22-11-15-6-4-5-14-9-10-18-20(19(14)15)16-7-2-3-8-17(16)25-18;1-5(2,3)4/h2-10,22-24H,11-13H2,1H3;1H3,(H,2,3,4)