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

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

Systemtic Name:2-(fluoranthen-3-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
Openeye Name:2-(fluoranthen-3-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
CAS Name:2-(3-fluoranthenylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
IUPAC Name:2-(fluoranthen-3-ylmethylamino)cyclohexane-1,3-diol; methanesulfonic acid
Traditional Name:2-(fluoranthen-3-ylmethylamino)cyclohexane-1,3-diol; mesylic acid
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=CC=C4C3=C(C=C2)C5=CC=CC=C54)O


Isomeric SMILES

CS(=O)(=O)O.C1CC(C(C(C1)O)NCC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C54)O


InChI

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


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