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4-methylbenzenesulfonic acid; 1-oxidanyl-1-[(E)-(4-phenylmethoxyphenyl)methylideneamino]guanidine

4-methylbenzenesulfonic acid; 1-oxidanyl-1-[(E)-(4-phenylmethoxyphenyl)methylideneamino]guanidine

Systemtic Name:4-methylbenzenesulfonic acid; 1-oxidanyl-1-[(E)-(4-phenylmethoxyphenyl)methylideneamino]guanidine
Openeye Name:1-[(E)-(4-benzyloxyphenyl)methyleneamino]-1-hydroxy-guanidine; 4-methylbenzenesulfonic acid
CAS Name:1-hydroxy-1-[(E)-(4-phenylmethoxyphenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid
IUPAC Name:1-hydroxy-1-[(E)-(4-phenylmethoxyphenyl)methylideneamino]guanidine; 4-methylbenzenesulfonic acid
Traditional Name:1-[(E)-(4-benzoxybenzylidene)amino]-1-hydroxy-guanidine; tosylic acid
Formula: C22H24N4O5S
MolecularWeight: 456.51476
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NN(C(=N)N)O


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/N(C(=N)N)O


InChI

InChI=1S/C15H16N4O2.C7H8O3S/c16-15(17)19(20)18-10-12-6-8-14(9-7-12)21-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,20H,11H2,(H3,16,17);2-5H,1H3,(H,8,9,10)/b18-10+;


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