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2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid

2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid

Systemtic Name:2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid
Openeye Name:2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid
CAS Name:2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid
IUPAC Name:2-(4,5-dihydro-1H-imidazol-2-ylamino)benzoate; methanesulfonic acid
Traditional Name:2-(2-imidazolin-2-ylamino)benzoate; mesylic acid
Formula: C12H18N3O8S2-
MolecularWeight: 396.41662
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1CN=C(N1)NC2=CC=CC=C2C(=O)[O-]


Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1CN=C(N1)NC2=CC=CC=C2C(=O)[O-]


InChI

InChI=1S/C10H11N3O2.2CH4O3S/c14-9(15)7-3-1-2-4-8(7)13-10-11-5-6-12-10;2*1-5(2,3)4/h1-4H,5-6H2,(H,14,15)(H2,11,12,13);2*1H3,(H,2,3,4)/p-1


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