sodium 4-methylbenzenesulfinate hydrate

Systemtic Name: sodium 4-methylbenzenesulfinate hydrate Openeye Name: sodium 4-methylbenzenesulfinate hydrate CAS Name: sodium 4-methylbenzenesulfinate hydrate IUPAC Name: sodium 4-methylbenzenesulfinate hydrate Traditional Name: sodium 4-methylbenzenesulfinate hydrate Formula: C7H9NaO3S MolecularWeight: 196.19933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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