copper 2-methoxycarbonyl-5-methyl-benzenesulfonate

Systemtic Name: copper 2-methoxycarbonyl-5-methyl-benzenesulfonate Openeye Name: copper 2-methoxycarbonyl-5-methyl-benzenesulfonate CAS Name: copper 2-methoxycarbonyl-5-methylbenzenesulfonate IUPAC Name: copper 2-methoxycarbonyl-5-methylbenzenesulfonate Traditional Name: cupric 2-carbomethoxy-5-methyl-besylate Formula: C18H18CuO10S2 MolecularWeight: 522.00552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)[O-].CC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)[O-].[Cu+2]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)[O-].CC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)[O-].[Cu+2]

InChI

InChI=1S/2C9H10O5S.Cu/c2*1-6-3-4-7(9(10)14-2)8(5-6)15(11,12)13;/h2*3-5H,1-2H3,(H,11,12,13);/q;;+2/p-2