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2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol hydrochloride

2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol hydrochloride

Systemtic Name:2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol hydrochloride
Openeye Name:2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol hydrochloride
CAS Name:2-(6-chrysenylmethylamino)cyclohexane-1,3-diol hydrochloride
IUPAC Name:2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol hydrochloride
Traditional Name:2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol hydrochloride
Formula: C25H26ClNO2
MolecularWeight: 407.93244
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C25H25NO2.ClH/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;/h1-4,6-9,12-14,23-28H,5,10-11,15H2;1H


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