sodium 3-methanoyl-4-methyl-benzenesulfonate

Systemtic Name: sodium 3-methanoyl-4-methyl-benzenesulfonate Openeye Name: sodium 3-formyl-4-methyl-benzenesulfonate CAS Name: sodium 3-formyl-4-methylbenzenesulfonate IUPAC Name: sodium 3-formyl-4-methylbenzenesulfonate Traditional Name: sodium 3-formyl-4-methyl-besylate Formula: C8H7NaO4S MolecularWeight: 222.19355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8O4S.Na/c1-6-2-3-8(13(10,11)12)4-7(6)5-9;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1