2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid

Systemtic Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid Openeye Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid CAS Name: 2-(6-chrysenylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid IUPAC Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid Traditional Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol; mesylic acid Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)O

Isomeric SMILES

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)O

InChI

InChI=1S/C25H25NO2.CH4O3S/c27-23-10-5-11-24(28)25(23)26-15-17-14-22-18-7-2-1-6-16(18)12-13-21(22)20-9-4-3-8-19(17)20;1-5(2,3)4/h1-4,6-9,12-14,23-28H,5,10-11,15H2;1H3,(H,2,3,4)