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

Systemtic Name: methanesulfonic acid; 2-(perylen-3-ylmethylamino)cyclohexane-1,3-diol Openeye Name: methanesulfonic acid; 2-(perylen-3-ylmethylamino)cyclohexane-1,3-diol CAS Name: methanesulfonic acid; 2-(3-perylenylmethylamino)cyclohexane-1,3-diol IUPAC Name: methanesulfonic acid; 2-(perylen-3-ylmethylamino)cyclohexane-1,3-diol Traditional Name: mesylic acid; 2-(perylen-3-ylmethylamino)cyclohexane-1,3-diol Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=CC=C3C4=CC=CC5=C4C(=CC=C5)C6=C3C2=CC=C6)O

Isomeric SMILES

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=CC=C3C4=CC=CC5=C4C(=CC=C5)C6=C3C2=CC=C6)O

InChI

InChI=1S/C27H25NO2.CH4O3S/c29-23-11-4-12-24(30)27(23)28-15-17-13-14-22-20-9-2-6-16-5-1-8-19(25(16)20)21-10-3-7-18(17)26(21)22;1-5(2,3)4/h1-3,5-10,13-14,23-24,27-30H,4,11-12,15H2;1H3,(H,2,3,4)