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but-2-enedioic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; hydrate

but-2-enedioic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; hydrate

Systemtic Name:but-2-enedioic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; hydrate
Openeye Name:but-2-enedioic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; hydrate
CAS Name:but-2-enedioic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; hydrate
IUPAC Name:but-2-enedioic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; hydrate
Traditional Name:but-2-enedioic acid; piperidin-1-ide; 2H-pyridin-1-ide; zinc; hydrate
Formula: C38H66N6O9Zn3-6
MolecularWeight: 947.19244
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.O.[Zn].[Zn].[Zn]


Isomeric SMILES

C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.O.[Zn].[Zn].[Zn]


InChI

InChI=1S/5C5H10N.C5H6N.2C4H4O4.H2O.3Zn/c6*1-2-4-6-5-3-1;2*5-3(6)1-2-4(7)8;;;;/h5*1-5H2;1-4H,5H2;2*1-2H,(H,5,6)(H,7,8);1H2;;;/q6*-1;;;;;;


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