calcium 3,4-dimethylbenzenesulfonate

Systemtic Name: calcium 3,4-dimethylbenzenesulfonate Openeye Name: calcium 3,4-dimethylbenzenesulfonate CAS Name: calcium 3,4-dimethylbenzenesulfonate IUPAC Name: calcium 3,4-dimethylbenzenesulfonate Traditional Name: calcium 3,4-dimethylbesylate Formula: C16H18CaO6S2 MolecularWeight: 410.51852

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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.[Ca+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.[Ca+2]

InChI

InChI=1S/2C8H10O3S.Ca/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