methanesulfonic acid; 2-(phenanthren-9-ylmethylamino)cyclohexane-1,3-diol

Systemtic Name: methanesulfonic acid; 2-(phenanthren-9-ylmethylamino)cyclohexane-1,3-diol Openeye Name: methanesulfonic acid; 2-(9-phenanthrylmethylamino)cyclohexane-1,3-diol CAS Name: methanesulfonic acid; 2-(9-phenanthrenylmethylamino)cyclohexane-1,3-diol IUPAC Name: methanesulfonic acid; 2-(phenanthren-9-ylmethylamino)cyclohexane-1,3-diol Traditional Name: mesylic acid; 2-(9-phenanthrylmethylamino)cyclohexane-1,3-diol Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=CC3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=CC3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C21H23NO2.CH4O3S/c23-19-10-5-11-20(24)21(19)22-13-15-12-14-6-1-2-7-16(14)18-9-4-3-8-17(15)18;1-5(2,3)4/h1-4,6-9,12,19-24H,5,10-11,13H2;1H3,(H,2,3,4)