zinc; [3-(2-piperidin-1-id-4-ylethenyl)cyclohexyl]methanediol; zinc; tetrahydrate

Systemtic Name: zinc; [3-(2-piperidin-1-id-4-ylethenyl)cyclohexyl]methanediol; zinc; tetrahydrate Openeye Name: zinc; [3-(2-piperidin-1-id-4-ylvinyl)cyclohexyl]methanediol; zinc; tetrahydrate CAS Name: zinc; [3-[2-(4-piperidin-1-idyl)ethenyl]cyclohexyl]methanediol; zinc; tetrahydrate IUPAC Name: zinc; [3-(2-piperidin-1-id-4-ylethenyl)cyclohexyl]methanediol; zinc; tetrahydrate Traditional Name: zinc; [3-(2-piperidin-1-id-4-ylvinyl)cyclohexyl]methanediol; zinc; tetrahydrate Formula: C28H56N2O8Zn3 MolecularWeight: 744.97984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(O)O)C=CC2CC[N-]CC2.C1CC(CC(C1)C(O)O)C=CC2CC[N-]CC2.O.O.O.O.[Zn].[Zn].[Zn+2]

Isomeric SMILES

C1CC(CC(C1)C(O)O)C=CC2CC[N-]CC2.C1CC(CC(C1)C(O)O)C=CC2CC[N-]CC2.O.O.O.O.[Zn].[Zn].[Zn+2]

InChI

InChI=1S/2C14H24NO2.4H2O.3Zn/c2*16-14(17)13-3-1-2-12(10-13)5-4-11-6-8-15-9-7-11;;;;;;;/h2*4-5,11-14,16-17H,1-3,6-10H2;4*1H2;;;/q2*-1;;;;;;;+2