dicopper; (2-methylsulfanylpiperidin-3-yl)methanediol; (2-methylsulfanylpyridin-3-yl)methanediol; piperidin-1-ide; 2H-pyridin-1-ide

Systemtic Name: dicopper; (2-methylsulfanylpiperidin-3-yl)methanediol; (2-methylsulfanylpyridin-3-yl)methanediol; piperidin-1-ide; 2H-pyridin-1-ide Openeye Name: dicopper; (2-methylsulfanyl-3-piperidyl)methanediol; (2-methylsulfanyl-3-pyridyl)methanediol; piperidin-1-ide; 2H-pyridin-1-ide CAS Name: dicopper; [2-(methylthio)-3-piperidinyl]methanediol; [2-(methylthio)-3-pyridinyl]methanediol; piperidin-1-ide; 2H-pyridin-1-ide IUPAC Name: dicopper; (2-methylsulfanylpiperidin-3-yl)methanediol; (2-methylsulfanylpyridin-3-yl)methanediol; piperidin-1-ide; 2H-pyridin-1-ide Traditional Name: dicupric; [2-(methylthio)-3-piperidyl]methanediol; [2-(methylthio)-3-pyridyl]methanediol; piperidin-1-ide; 2H-pyridin-1-ide Formula: C48H84Cu2N8O8S4 MolecularWeight: 1156.58136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(CCCN1)C(O)O.CSC1C(CCCN1)C(O)O.CSC1=C(C=CC=N1)C(O)O.CSC1=C(C=CC=N1)C(O)O.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.[Cu+2].[Cu+2]

Isomeric SMILES

CSC1C(CCCN1)C(O)O.CSC1C(CCCN1)C(O)O.CSC1=C(C=CC=N1)C(O)O.CSC1=C(C=CC=N1)C(O)O.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.[Cu+2].[Cu+2]

InChI

InChI=1S/2C7H15NO2S.2C7H9NO2S.3C5H10N.C5H6N.2Cu/c4*1-11-6-5(7(9)10)3-2-4-8-6;4*1-2-4-6-5-3-1;;/h2*5-10H,2-4H2,1H3;2*2-4,7,9-10H,1H3;3*1-5H2;1-4H,5H2;;/q;;;;4*-1;2*+2