2,4-dimethylbenzenesulfonate; dimethyl(phenyl)azanium

Systemtic Name: 2,4-dimethylbenzenesulfonate; dimethyl(phenyl)azanium Openeye Name: 2,4-dimethylbenzenesulfonate; dimethyl(phenyl)ammonium CAS Name: 2,4-dimethylbenzenesulfonate; dimethyl(phenyl)ammonium IUPAC Name: 2,4-dimethylbenzenesulfonate; dimethyl(phenyl)azanium Traditional Name: 2,4-dimethylbesylate; dimethyl(phenyl)ammonium Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N.C8H10O3S/c1-9(2)8-6-4-3-5-7-8;1-6-3-4-8(7(2)5-6)12(9,10)11/h3-7H,1-2H3;3-5H,1-2H3,(H,9,10,11)