5-[10-(1,4,7,10-tetrazacyclododec-1-yl)decyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[10-(1,4,7,10-tetrazacyclododec-1-yl)decyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[10-(1,4,7,10-tetrazacyclododec-1-yl)decyl]benzene-1,3-dicarboxylic acid CAS Name: 5-[10-(1,4,7,10-tetrazacyclododec-1-yl)decyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[10-(1,4,7,10-tetrazacyclododec-1-yl)decyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[10-(1,4,7,10-tetrazacyclododec-1-yl)decyl]isophthalic acid Formula: C26H44N4O4 MolecularWeight: 476.65196

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)CCCCCCCCCCC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CNCCN(CCNCCN1)CCCCCCCCCCC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C26H44N4O4/c31-25(32)23-19-22(20-24(21-23)26(33)34)9-7-5-3-1-2-4-6-8-16-30-17-14-28-12-10-27-11-13-29-15-18-30/h19-21,27-29H,1-18H2,(H,31,32)(H,33,34)