benzene-1,4-dicarboximidamide; 2-methylbenzenesulfonic acid

Systemtic Name: benzene-1,4-dicarboximidamide; 2-methylbenzenesulfonic acid Openeye Name: benzene-1,4-dicarboxamidine; 2-methylbenzenesulfonic acid CAS Name: benzene-1,4-dicarboximidamide; 2-methylbenzenesulfonic acid IUPAC Name: benzene-1,4-dicarboximidamide; 2-methylbenzenesulfonic acid Traditional Name: benzene-1,4-dicarboxamidine; 2-methylbesylic acid Formula: C22H26N4O6S2 MolecularWeight: 506.59504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)O.CC1=CC=CC=C1S(=O)(=O)O.C1=CC(=CC=C1C(=N)N)C(=N)N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)O.CC1=CC=CC=C1S(=O)(=O)O.C1=CC(=CC=C1C(=N)N)C(=N)N

InChI

InChI=1S/C8H10N4.2C7H8O3S/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-6-4-2-3-5-7(6)11(8,9)10/h1-4H,(H3,9,10)(H3,11,12);2*2-5H,1H3,(H,8,9,10)