6-[di(imidazol-1-yl)methyl]quinoxaline; 4-methylbenzenesulfonate

Systemtic Name: 6-[di(imidazol-1-yl)methyl]quinoxaline; 4-methylbenzenesulfonate Openeye Name: 6-[di(imidazol-1-yl)methyl]quinoxaline; 4-methylbenzenesulfonate CAS Name: 6-[bis(1-imidazolyl)methyl]quinoxaline; 4-methylbenzenesulfonate IUPAC Name: 6-[di(imidazol-1-yl)methyl]quinoxaline; 4-methylbenzenesulfonate Traditional Name: 6-[di(imidazol-1-yl)methyl]quinoxaline ditosylate Formula: C29H26N6O6S2-2 MolecularWeight: 618.68334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC2=NC=CN=C2C=C1C(N3C=CN=C3)N4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC2=NC=CN=C2C=C1C(N3C=CN=C3)N4C=CN=C4

InChI

InChI=1S/C15H12N6.2C7H8O3S/c1-2-13-14(19-4-3-18-13)9-12(1)15(20-7-5-16-10-20)21-8-6-17-11-21;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-11,15H;2*2-5H,1H3,(H,8,9,10)/p-2