3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; 4-methylbenzenesulfonic acid

Systemtic Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; 4-methylbenzenesulfonic acid Openeye Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; 4-methylbenzenesulfonic acid CAS Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; 4-methylbenzenesulfonic acid IUPAC Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; 4-methylbenzenesulfonic acid Traditional Name: 3-(1,2-diazacycloundecen-3-yl)-1,2-diazacycloundecene; tosylic acid Formula: C25H42N4O3S MolecularWeight: 478.69098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCCCN=NC(CCC1)C2CCCCCCCCN=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCCCN=NC(CCC1)C2CCCCCCCCN=N2

InChI

InChI=1S/C18H34N4.C7H8O3S/c1-3-7-11-15-19-21-17(13-9-5-1)18-14-10-6-2-4-8-12-16-20-22-18;1-6-2-4-7(5-3-6)11(8,9)10/h17-18H,1-16H2;2-5H,1H3,(H,8,9,10)