sodium 4-methylbenzenesulfinic acid tetrahydrate

Systemtic Name: sodium 4-methylbenzenesulfinic acid tetrahydrate Openeye Name: sodium 4-methylbenzenesulfinic acid tetrahydrate CAS Name: sodium 4-methylbenzenesulfinic acid tetrahydrate IUPAC Name: sodium 4-methylbenzenesulfinic acid tetrahydrate Traditional Name: sodium 4-methylbenzenesulfinic acid tetrahydrate Formula: C7H16NaO6S+ MolecularWeight: 251.25311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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