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

Systemtic Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol Openeye Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol CAS Name: 2-(6-chrysenylmethylamino)cyclohexane-1,3-diol IUPAC Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol Traditional Name: 2-(chrysen-6-ylmethylamino)cyclohexane-1,3-diol Formula: C25H25NO2 MolecularWeight: 371.4715

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H25NO2/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