zinc 3,4-dimethylbenzenesulfonate

Systemtic Name: zinc 3,4-dimethylbenzenesulfonate Openeye Name: zinc 3,4-dimethylbenzenesulfonate CAS Name: zinc 3,4-dimethylbenzenesulfonate IUPAC Name: zinc 3,4-dimethylbenzenesulfonate Traditional Name: zinc 3,4-dimethylbesylate Formula: C16H18O6S2Zn MolecularWeight: 435.84952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Zn+2]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Zn+2]

InChI

InChI=1S/2C8H10O3S.Zn/c2*1-6-3-4-8(5-7(6)2)12(9,10)11;/h2*3-5H,1-2H3,(H,9,10,11);/q;;+2/p-2