1,2-di(propan-2-yl)guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 1,2-di(propan-2-yl)guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1,2-diisopropylguanidine; 4-methylbenzenesulfonic acid CAS Name: 1,2-di(propan-2-yl)guanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1,2-di(propan-2-yl)guanidine; 4-methylbenzenesulfonic acid Traditional Name: 1,2-diisopropylguanidine; tosylic acid Formula: C14H25N3O3S MolecularWeight: 315.4316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NC(=NC(C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)NC(=NC(C)C)N

InChI

InChI=1S/C7H17N3.C7H8O3S/c1-5(2)9-7(8)10-6(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-6H,1-4H3,(H3,8,9,10);2-5H,1H3,(H,8,9,10)