sodium 4-methylbenzenesulfinic acid hydrate

Systemtic Name: sodium 4-methylbenzenesulfinic acid hydrate Openeye Name: sodium 4-methylbenzenesulfinic acid hydrate CAS Name: sodium 4-methylbenzenesulfinic acid hydrate IUPAC Name: sodium 4-methylbenzenesulfinic acid hydrate Traditional Name: sodium 4-methylbenzenesulfinic acid hydrate Formula: C7H10NaO3S+ MolecularWeight: 197.20727

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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;