sodium 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate Openeye Name: sodium 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate CAS Name: sodium 3-[3,4-bis(methoxycarbonyl)phenoxy]-1-propanesulfonate IUPAC Name: sodium 3-[3,4-bis(methoxycarbonyl)phenoxy]propane-1-sulfonate Traditional Name: sodium 3-(3,4-dicarbomethoxyphenoxy)propane-1-sulfonate Formula: C13H15NaO8S MolecularWeight: 354.30817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O8S.Na/c1-19-12(14)10-5-4-9(8-11(10)13(15)20-2)21-6-3-7-22(16,17)18;/h4-5,8H,3,6-7H2,1-2H3,(H,16,17,18);/q;+1/p-1