2,4,6-trimethylbenzenesulfonic acid dihydrate

Systemtic Name: 2,4,6-trimethylbenzenesulfonic acid dihydrate Openeye Name: 2,4,6-trimethylbenzenesulfonic acid dihydrate CAS Name: 2,4,6-trimethylbenzenesulfonic acid dihydrate IUPAC Name: 2,4,6-trimethylbenzenesulfonic acid dihydrate Traditional Name: 2,4,6-trimethylbesylic acid dihydrate Formula: C9H16O5S MolecularWeight: 236.28534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.2H2O/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;;/h4-5H,1-3H3,(H,10,11,12);2*1H2