1,3-dicyclohexylpropane-1,3-diol; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc

Systemtic Name: 1,3-dicyclohexylpropane-1,3-diol; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc Openeye Name: 1,3-dicyclohexylpropane-1,3-diol; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc CAS Name: 1,3-dicyclohexylpropane-1,3-diol; 4-(4-piperidin-1-idyl)-2H-pyridin-1-ide; zinc IUPAC Name: 1,3-dicyclohexylpropane-1,3-diol; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc Traditional Name: 1,3-dicyclohexylpropane-1,3-diol; 4-piperidin-1-id-4-yl-2H-pyridin-1-ide; zinc Formula: C70H126N2O8Zn2-2 MolecularWeight: 1254.57604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1C[N-]CCC1C2=CC[N-]C=C2.[Zn].[Zn]

Isomeric SMILES

C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1CCC(CC1)C(CC(C2CCCCC2)O)O.C1C[N-]CCC1C2=CC[N-]C=C2.[Zn].[Zn]

InChI

InChI=1S/4C15H28O2.C10H14N2.2Zn/c4*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h4*12-17H,1-11H2;1-2,5,10H,3-4,6-8H2;;/q;;;;-2;;