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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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