calcium 3,5-bis(methoxycarbonyl)benzenesulfonate

Systemtic Name: calcium 3,5-bis(methoxycarbonyl)benzenesulfonate Openeye Name: calcium 3,5-bis(methoxycarbonyl)benzenesulfonate CAS Name: calcium 3,5-bis(methoxycarbonyl)benzenesulfonate IUPAC Name: calcium 3,5-bis(methoxycarbonyl)benzenesulfonate Traditional Name: calcium 3,5-dicarbomethoxybesylate Formula: C20H18CaO14S2 MolecularWeight: 586.55652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Ca+2]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.COC(=O)C1=CC(=CC(=C1)S(=O)(=O)[O-])C(=O)OC.[Ca+2]

InChI

InChI=1S/2C10H10O7S.Ca/c2*1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;/h2*3-5H,1-2H3,(H,13,14,15);/q;;+2/p-2