imidazole-1-carbothioic S-acid; 4-methylbenzenesulfonic acid

Systemtic Name: imidazole-1-carbothioic S-acid; 4-methylbenzenesulfonic acid Openeye Name: imidazole-1-carbothioic S-acid; 4-methylbenzenesulfonic acid CAS Name: 1-imidazolecarbothioic S-acid; 4-methylbenzenesulfonic acid IUPAC Name: imidazole-1-carbothioic S-acid; 4-methylbenzenesulfonic acid Traditional Name: imidazole-1-carbothioic S-acid; tosylic acid Formula: C11H12N2O4S2 MolecularWeight: 300.35398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CN(C=N1)C(=O)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CN(C=N1)C(=O)S

InChI

InChI=1S/C7H8O3S.C4H4N2OS/c1-6-2-4-7(5-3-6)11(8,9)10;7-4(8)6-2-1-5-3-6/h2-5H,1H3,(H,8,9,10);1-3H,(H,7,8)