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iron(3+); 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid

iron(3+); 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid

Systemtic Name:iron(3+); 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanoic acid
Openeye Name:ferric 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CAS Name:iron(3+); 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
IUPAC Name:iron(3+); 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
Traditional Name:ferric 2-[4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
Formula: C18H32FeN4O8+3
MolecularWeight: 488.31368
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Fe+3]


Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O.[Fe+3]


InChI

InChI=1S/C18H32N4O8.Fe/c23-15(24)11-19-3-1-4-20(12-16(25)26)8-10-22(14-18(29)30)6-2-5-21(9-7-19)13-17(27)28;/h1-14H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30);/q;+3


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