sodium 2-[3,4-bis(methoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid

Systemtic Name: sodium 2-[3,4-bis(methoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid Openeye Name: sodium 2-[3,4-bis(methoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid CAS Name: sodium 2-[3,4-bis(methoxycarbonyl)phenoxy]-1-benzene-5-idesulfonic acid IUPAC Name: sodium 2-[3,4-bis(methoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid Traditional Name: sodium 2-(3,4-dicarbomethoxyphenoxy)benzene-5-ide-1-sulfonic acid Formula: C16H13NaO8S MolecularWeight: 388.32439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)OC2=CC=[C-]C=C2S(=O)(=O)O)C(=O)OC.[Na+]

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)OC2=CC=[C-]C=C2S(=O)(=O)O)C(=O)OC.[Na+]

InChI

InChI=1S/C16H13O8S.Na/c1-22-15(17)11-8-7-10(9-12(11)16(18)23-2)24-13-5-3-4-6-14(13)25(19,20)21;/h3,5-9H,1-2H3,(H,19,20,21);/q-1;+1