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phthalic acid; 1,4,8,11-tetrazacyclotetradecane; zinc; hydrate

phthalic acid; 1,4,8,11-tetrazacyclotetradecane; zinc; hydrate

Systemtic Name:phthalic acid; 1,4,8,11-tetrazacyclotetradecane; zinc; hydrate
Openeye Name:phthalic acid; 1,4,8,11-tetrazacyclotetradecane; zinc; hydrate
CAS Name:phthalic acid; 1,4,8,11-tetrazacyclotetradecane; zinc; hydrate
IUPAC Name:phthalic acid; 1,4,8,11-tetrazacyclotetradecane; zinc; hydrate
Traditional Name:phthalic acid; 1,4,8,11-tetrazacyclotetradecane; zinc; hydrate
Formula: C36H62N8O9Zn3
MolecularWeight: 947.15268
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.O.[Zn].[Zn].[Zn]


Isomeric SMILES

C1CNCCNCCCNCCNC1.C1CNCCNCCCNCCNC1.C1=CC=C(C(=C1)C(=O)O)C(=O)O.C1=CC=C(C(=C1)C(=O)O)C(=O)O.O.[Zn].[Zn].[Zn]


InChI

InChI=1S/2C10H24N4.2C8H6O4.H2O.3Zn/c2*1-3-11-7-9-13-5-2-6-14-10-8-12-4-1;2*9-7(10)5-3-1-2-4-6(5)8(11)12;;;;/h2*11-14H,1-10H2;2*1-4H,(H,9,10)(H,11,12);1H2;;;


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