(3-chloranyl-5-oxidanyl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonic acid

Systemtic Name: (3-chloranyl-5-oxidanyl-phenyl) 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonic acid Openeye Name: (3-chloro-5-hydroxy-phenyl) 4-guanidinobenzoate; methanesulfonic acid CAS Name: 4-(diaminomethylideneamino)benzoic acid (3-chloro-5-hydroxyphenyl) ester; methanesulfonic acid IUPAC Name: (3-chloro-5-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate; methanesulfonic acid Traditional Name: 4-guanidinobenzoic acid (3-chloro-5-hydroxy-phenyl) ester; mesylic acid Formula: C15H16ClN3O6S MolecularWeight: 401.82204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC(=CC(=C2)O)Cl)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC(=CC(=C2)O)Cl)N=C(N)N

InChI

InChI=1S/C14H12ClN3O3.CH4O3S/c15-9-5-11(19)7-12(6-9)21-13(20)8-1-3-10(4-2-8)18-14(16)17;1-5(2,3)4/h1-7,19H,(H4,16,17,18);1H3,(H,2,3,4)