methanesulfonic acid; 2-methyl-2-(phenanthro[9,10-b]furan-2-ylmethylamino)propane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-methyl-2-(phenanthro[9,10-b]furan-2-ylmethylamino)propane-1,3-diol Openeye Name: methanesulfonic acid; 2-methyl-2-(phenanthro[9,10-b]furan-2-ylmethylamino)propane-1,3-diol CAS Name: methanesulfonic acid; 2-methyl-2-(2-phenanthro[9,10-b]furanylmethylamino)propane-1,3-diol IUPAC Name: methanesulfonic acid; 2-methyl-2-(phenanthro[9,10-b]furan-2-ylmethylamino)propane-1,3-diol Traditional Name: mesylic acid; 2-methyl-2-(phenanthro[9,10-b]furan-2-ylmethylamino)propane-1,3-diol Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(O1)C3=CC=CC=C3C4=CC=CC=C42.CS(=O)(=O)O

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(O1)C3=CC=CC=C3C4=CC=CC=C42.CS(=O)(=O)O

InChI

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