sodium 3-sulfooxycarbonylbenzene-5-ide-1-carboxylate

Systemtic Name: sodium 3-sulfooxycarbonylbenzene-5-ide-1-carboxylate Openeye Name: sodium 3-sulfooxycarbonylbenzene-5-ide-1-carboxylate CAS Name: sodium 3-[oxo(sulfooxy)methyl]-1-benzene-5-idecarboxylate IUPAC Name: sodium 3-sulfooxycarbonylbenzene-5-ide-1-carboxylate Traditional Name: sodium 3-sulfoxycarbonylbenzene-5-ide-1-carboxylate Formula: C8H4NaO7S- MolecularWeight: 267.16793

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Descriptors Computed from Structure

Canonical SMILES:

C1=[C-]C=C(C=C1C(=O)[O-])C(=O)OS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=[C-]C=C(C=C1C(=O)[O-])C(=O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C8H5O7S.Na/c9-7(10)5-2-1-3-6(4-5)8(11)15-16(12,13)14;/h2-4H,(H,9,10)(H,12,13,14);/q-1;+1/p-1