disodium 4,5-bis(4-methoxyphenoxy)phthalate

Systemtic Name: disodium 4,5-bis(4-methoxyphenoxy)phthalate Openeye Name: disodium 4,5-bis(4-methoxyphenoxy)phthalate CAS Name: disodium 4,5-bis(4-methoxyphenoxy)phthalate IUPAC Name: disodium 4,5-bis(4-methoxyphenoxy)phthalate Traditional Name: disodium 4,5-bis(4-methoxyphenoxy)phthalate Formula: C22H16Na2O8 MolecularWeight: 454.33718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C(=O)[O-])C(=O)[O-])OC3=CC=C(C=C3)OC.[Na+].[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C=C(C(=C2)C(=O)[O-])C(=O)[O-])OC3=CC=C(C=C3)OC.[Na+].[Na+]

InChI

InChI=1S/C22H18O8.2Na/c1-27-13-3-7-15(8-4-13)29-19-11-17(21(23)24)18(22(25)26)12-20(19)30-16-9-5-14(28-2)6-10-16;;/h3-12H,1-2H3,(H,23,24)(H,25,26);;/q;2*+1/p-2