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

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

Systemtic Name:2-(anthracen-9-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
Openeye Name:2-(9-anthrylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
CAS Name:2-(9-anthracenylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
IUPAC Name:2-(anthracen-9-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
Traditional Name:2-(9-anthrylmethylamino)cyclohexane-1,3-diol; mesylic acid
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=C3C=CC=CC3=CC4=CC=CC=C42)O


Isomeric SMILES

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=C3C=CC=CC3=CC4=CC=CC=C42)O


InChI

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


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