sodium 4-methylbenzenesulfinate dihydrate

Systemtic Name: sodium 4-methylbenzenesulfinate dihydrate Openeye Name: sodium 4-methylbenzenesulfinate dihydrate CAS Name: sodium 4-methylbenzenesulfinate dihydrate IUPAC Name: sodium 4-methylbenzenesulfinate dihydrate Traditional Name: sodium 4-methylbenzenesulfinate dihydrate Formula: C7H11NaO4S MolecularWeight: 214.21461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O2S.Na.2H2O/c1-6-2-4-7(5-3-6)10(8)9;;;/h2-5H,1H3,(H,8,9);;2*1H2/q;+1;;/p-1