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

Systemtic Name: sodium 2-[3,5-bis(ethoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid Openeye Name: sodium 2-[3,5-bis(ethoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid CAS Name: sodium 2-[3,5-bis(ethoxycarbonyl)phenoxy]-1-benzene-5-idesulfonic acid IUPAC Name: sodium 2-[3,5-bis(ethoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid Traditional Name: sodium 2-(3,5-dicarbethoxyphenoxy)benzene-5-ide-1-sulfonic acid Formula: C18H17NaO8S MolecularWeight: 416.37755

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=CC=[C-]C=C2S(=O)(=O)O)C(=O)OCC.[Na+]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=CC=[C-]C=C2S(=O)(=O)O)C(=O)OCC.[Na+]

InChI

InChI=1S/C18H17O8S.Na/c1-3-24-17(19)12-9-13(18(20)25-4-2)11-14(10-12)26-15-7-5-6-8-16(15)27(21,22)23;/h5,7-11H,3-4H2,1-2H3,(H,21,22,23);/q-1;+1