4-methylbenzenesulfonic acid; N-sulfanidylcarbamothioate

Systemtic Name: 4-methylbenzenesulfonic acid; N-sulfanidylcarbamothioate Openeye Name: 4-methylbenzenesulfonic acid; N-sulfidocarbamothioate CAS Name: 4-methylbenzenesulfonic acid; N-sulfidocarbamothioate IUPAC Name: 4-methylbenzenesulfonic acid; N-sulfidocarbamothioate Traditional Name: N-sulfidothiocarbamate; tosylic acid Formula: C15H17NO7S4-2 MolecularWeight: 451.55798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8O3S.CH2NOS2/c2*1-6-2-4-7(5-3-6)11(8,9)10;3-1(4)2-5/h2*2-5H,1H3,(H,8,9,10);(H2-,2,3,4,5)/q;;-1/p-1