sodium 3,5-bis(methoxycarbonyl)benzenesulfonate hydrate

Systemtic Name: sodium 3,5-bis(methoxycarbonyl)benzenesulfonate hydrate Openeye Name: sodium 3,5-bis(methoxycarbonyl)benzenesulfonate hydrate CAS Name: sodium 3,5-bis(methoxycarbonyl)benzenesulfonate hydrate IUPAC Name: sodium 3,5-bis(methoxycarbonyl)benzenesulfonate hydrate Traditional Name: sodium 3,5-dicarbomethoxybesylate hydrate Formula: C10H11NaO8S MolecularWeight: 314.24431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O7S.Na.H2O/c1-16-9(11)6-3-7(10(12)17-2)5-8(4-6)18(13,14)15;;/h3-5H,1-2H3,(H,13,14,15);;1H2/q;+1;/p-1