disodium 3-sulfobenzoate

Systemtic Name: disodium 3-sulfobenzoate Openeye Name: disodium 3-sulfobenzoate CAS Name: disodium 3-sulfobenzoate IUPAC Name: disodium 3-sulfobenzoate Traditional Name: disodium 3-sulfobenzoate Formula: C7H5Na2O5S+ MolecularWeight: 247.15614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O5S.2Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;;/h1-4H,(H,8,9)(H,10,11,12);;/q;2*+1/p-1