2-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(E)-(6-chloranyl-1,3-benzodioxol-5-yl)methylideneamino]-1-oxidanyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 2-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid CAS Name: 2-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-1-hydroxyguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-[(E)-(6-chloro-1,3-benzodioxol-5-yl)methyleneamino]-1-hydroxy-guanidine; tosylic acid Formula: C16H17ClN4O6S MolecularWeight: 428.84738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C(=C2)C=NN=C(N)NO)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C(=C2)/C=N/N=C(/N)\NO)Cl

InChI

InChI=1S/C9H9ClN4O3.C7H8O3S/c10-6-2-8-7(16-4-17-8)1-5(6)3-12-13-9(11)14-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,15H,4H2,(H3,11,13,14);2-5H,1H3,(H,8,9,10)/b12-3+;