disodium phenyl benzoate sulfate

Systemtic Name: disodium phenyl benzoate sulfate Openeye Name: disodium phenyl benzoate sulfate CAS Name: disodium benzoic acid phenyl ester sulfate IUPAC Name: disodium phenyl benzoate sulfate Traditional Name: disodium benzoic acid phenyl ester sulfate Formula: C13H10Na2O6S MolecularWeight: 340.25944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2.[O-]S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2.[O-]S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H10O2.2Na.H2O4S/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;;;1-5(2,3)4/h1-10H;;;(H2,1,2,3,4)/q;2*+1;/p-2