disodium dimethyl benzene-1,3-dicarboxylate sulfate

Systemtic Name: disodium dimethyl benzene-1,3-dicarboxylate sulfate Openeye Name: disodium dimethyl benzene-1,3-dicarboxylate sulfate CAS Name: disodium benzene-1,3-dicarboxylic acid dimethyl ester sulfate IUPAC Name: disodium dimethyl benzene-1,3-dicarboxylate sulfate Traditional Name: disodium benzene-1,3-dicarboxylic acid dimethyl ester sulfate Formula: C10H10Na2O8S MolecularWeight: 336.22614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O4.2Na.H2O4S/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;;;1-5(2,3)4/h3-6H,1-2H3;;;(H2,1,2,3,4)/q;2*+1;/p-2