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

Systemtic Name: sodium 2-[3,5-bis(propan-2-yloxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid Openeye Name: sodium 2-[3,5-bis(isopropoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid CAS Name: sodium 2-[3,5-bis[oxo(propan-2-yloxy)methyl]phenoxy]-1-benzene-5-idesulfonic acid IUPAC Name: sodium 2-[3,5-bis(propan-2-yloxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid Traditional Name: sodium 2-[3,5-bis(isopropoxycarbonyl)phenoxy]benzene-5-ide-1-sulfonic acid Formula: C20H21NaO8S MolecularWeight: 444.43071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21O8S.Na/c1-12(2)26-19(21)14-9-15(20(22)27-13(3)4)11-16(10-14)28-17-7-5-6-8-18(17)29(23,24)25;/h5,7-13H,1-4H3,(H,23,24,25);/q-1;+1