methylbenzene sulfate dihydrate

Systemtic Name: methylbenzene sulfate dihydrate Openeye Name: toluene sulfate dihydrate CAS Name: toluene sulfate dihydrate IUPAC Name: toluene sulfate dihydrate Traditional Name: toluene sulfate dihydrate Formula: C7H12O6S-2 MolecularWeight: 224.23158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.H2O4S.2H2O/c1-7-5-3-2-4-6-7;1-5(2,3)4;;/h2-6H,1H3;(H2,1,2,3,4);2*1H2/p-2