sodium 5-methanoyl-2-methyl-benzenesulfonate

Systemtic Name: sodium 5-methanoyl-2-methyl-benzenesulfonate Openeye Name: sodium 5-formyl-2-methyl-benzenesulfonate CAS Name: sodium 5-formyl-2-methylbenzenesulfonate IUPAC Name: sodium 5-formyl-2-methylbenzenesulfonate Traditional Name: sodium 5-formyl-2-methyl-besylate Formula: C8H7NaO4S MolecularWeight: 222.19355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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