sodium 2-[3,5-bis(methoxycarbonyl)phenoxy]benzene-6-ide-1-sulfonic acid

Systemtic Name: sodium 2-[3,5-bis(methoxycarbonyl)phenoxy]benzene-6-ide-1-sulfonic acid Openeye Name: sodium 2-[3,5-bis(methoxycarbonyl)phenoxy]benzene-6-ide-1-sulfonic acid CAS Name: sodium 2-[3,5-bis(methoxycarbonyl)phenoxy]-1-benzene-6-idesulfonic acid IUPAC Name: sodium 2-[3,5-bis(methoxycarbonyl)phenoxy]benzene-6-ide-1-sulfonic acid Traditional Name: sodium 2-(3,5-dicarbomethoxyphenoxy)benzene-6-ide-1-sulfonic acid Formula: C16H13NaO8S MolecularWeight: 388.32439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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