4-methylbenzenesulfonate; [(5-methyl-2-oxidanyl-phenyl)amino]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(5-methyl-2-oxidanyl-phenyl)amino]azanium Openeye Name: (2-hydroxy-5-methyl-anilino)ammonium; 4-methylbenzenesulfonate CAS Name: (2-hydroxy-5-methylanilino)ammonium; 4-methylbenzenesulfonate IUPAC Name: (2-hydroxy-5-methylanilino)azanium; 4-methylbenzenesulfonate Traditional Name: (2-hydroxy-5-methyl-anilino)ammonium tosylate Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C=C1)O)N[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C=C1)O)N[NH3+]

InChI

InChI=1S/C7H10N2O.C7H8O3S/c1-5-2-3-7(10)6(4-5)9-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,9-10H,8H2,1H3;2-5H,1H3,(H,8,9,10)