3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; phthalic acid

Systemtic Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; phthalic acid Openeye Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; phthalic acid CAS Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; phthalic acid IUPAC Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; phthalic acid Traditional Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; phthalic acid Formula: C26H40N4O4 MolecularWeight: 472.6202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN=NC(CCC1)C2CCCCCCCCN=N2.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1CCCCN=NC(CCC1)C2CCCCCCCCN=N2.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C18H34N4.C8H6O4/c1-3-7-11-15-19-21-17(13-9-5-1)18-14-10-6-2-4-8-12-16-20-22-18;9-7(10)5-3-1-2-4-6(5)8(11)12/h17-18H,1-16H2;1-4H,(H,9,10)(H,11,12)