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2,5-dimethylbenzenesulfonic acid dihydrate

2,5-dimethylbenzenesulfonic acid dihydrate

Systemtic Name:2,5-dimethylbenzenesulfonic acid dihydrate
Openeye Name:2,5-dimethylbenzenesulfonic acid dihydrate
CAS Name:2,5-dimethylbenzenesulfonic acid dihydrate
IUPAC Name:2,5-dimethylbenzenesulfonic acid dihydrate
Traditional Name:2,5-dimethylbesylic acid dihydrate
Formula: C8H14O5S
MolecularWeight: 222.25876
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C8H10O3S.2H2O/c1-6-3-4-7(2)8(5-6)12(9,10)11;;/h3-5H,1-2H3,(H,9,10,11);2*1H2


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