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calcium 3-sulfooxycarbonylbenzoate

calcium 3-sulfooxycarbonylbenzoate

Systemtic Name:calcium 3-sulfooxycarbonylbenzoate
Openeye Name:calcium 3-sulfooxycarbonylbenzoate
CAS Name:calcium 3-[oxo(sulfooxy)methyl]benzoate
IUPAC Name:calcium 3-sulfooxycarbonylbenzoate
Traditional Name:calcium 3-sulfoxycarbonylbenzoate
Formula: C8H5CaO7S+
MolecularWeight: 285.2641
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OS(=O)(=O)O)C(=O)[O-].[Ca+2]


Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OS(=O)(=O)O)C(=O)[O-].[Ca+2]


InChI

InChI=1S/C8H6O7S.Ca/c9-7(10)5-2-1-3-6(4-5)8(11)15-16(12,13)14;/h1-4H,(H,9,10)(H,12,13,14);/q;+2/p-1


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