2,5-dimethylbenzenesulfonic acid; methanediimine

Systemtic Name: 2,5-dimethylbenzenesulfonic acid; methanediimine Openeye Name: 2,5-dimethylbenzenesulfonic acid; methanediimine CAS Name: 2,5-dimethylbenzenesulfonic acid; methanediimine IUPAC Name: 2,5-dimethylbenzenesulfonic acid; methanediimine Traditional Name: 2,5-dimethylbesylic acid; iminomethyleneamine Formula: C9H12N2O3S MolecularWeight: 228.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)O.C(=N)=N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)O.C(=N)=N

InChI

InChI=1S/C8H10O3S.CH2N2/c1-6-3-4-7(2)8(5-6)12(9,10)11;2-1-3/h3-5H,1-2H3,(H,9,10,11);2-3H