2-buta-1,3-dien-2-ylguanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-buta-1,3-dien-2-ylguanidine; 4-methylbenzenesulfonic acid Openeye Name: 4-methylbenzenesulfonic acid; 2-(1-methyleneallyl)guanidine CAS Name: 2-buta-1,3-dien-2-ylguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-buta-1,3-dien-2-ylguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-(1-methyleneallyl)guanidine; tosylic acid Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H9N3/c1-6-2-4-7(5-3-6)11(8,9)10;1-3-4(2)8-5(6)7/h2-5H,1H3,(H,8,9,10);3H,1-2H2,(H4,6,7,8)