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

Systemtic Name: methanesulfonic acid; 2-(pyren-1-ylmethylamino)cyclohexane-1,3-diol Openeye Name: methanesulfonic acid; 2-(pyren-1-ylmethylamino)cyclohexane-1,3-diol CAS Name: methanesulfonic acid; 2-(1-pyrenylmethylamino)cyclohexane-1,3-diol IUPAC Name: methanesulfonic acid; 2-(pyren-1-ylmethylamino)cyclohexane-1,3-diol Traditional Name: mesylic acid; 2-(pyren-1-ylmethylamino)cyclohexane-1,3-diol Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O

Isomeric SMILES

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)O

InChI

InChI=1S/C23H23NO2.CH4O3S/c25-19-5-2-6-20(26)23(19)24-13-17-10-9-16-8-7-14-3-1-4-15-11-12-18(17)22(16)21(14)15;1-5(2,3)4/h1,3-4,7-12,19-20,23-26H,2,5-6,13H2;1H3,(H,2,3,4)