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2,5-bis(1,4,7,10-tetrazacyclododec-1-yl)hexanedioic acid

2,5-bis(1,4,7,10-tetrazacyclododec-1-yl)hexanedioic acid

Systemtic Name:2,5-bis(1,4,7,10-tetrazacyclododec-1-yl)hexanedioic acid
Openeye Name:2,5-bis(1,4,7,10-tetrazacyclododec-1-yl)hexanedioic acid
CAS Name:2,5-bis(1,4,7,10-tetrazacyclododec-1-yl)hexanedioic acid
IUPAC Name:2,5-bis(1,4,7,10-tetrazacyclododec-1-yl)hexanedioic acid
Traditional Name:2,5-bis(1,4,7,10-tetrazacyclododec-1-yl)adipic acid
Formula: C22H46N8O4
MolecularWeight: 486.65184
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(CCC(C(=O)O)N2CCNCCNCCNCC2)C(=O)O


Isomeric SMILES

C1CNCCN(CCNCCN1)C(CCC(C(=O)O)N2CCNCCNCCNCC2)C(=O)O


InChI

InChI=1S/C22H46N8O4/c31-21(32)19(29-15-11-25-7-3-23-4-8-26-12-16-29)1-2-20(22(33)34)30-17-13-27-9-5-24-6-10-28-14-18-30/h19-20,23-28H,1-18H2,(H,31,32)(H,33,34)


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