2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-ethoxy-1-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-ethoxy-1-oxidanylidene-butane-2-sulfonic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-1-ethoxy-1-oxo-butane-2-sulfonic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-1-ethoxy-1-oxo-2-butanesulfonic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-1-ethoxy-1-oxobutane-2-sulfonic acid Traditional Name: 1-ethoxy-1-keto-2-phthalimido-butane-2-sulfonic acid Formula: C14H15NO7S MolecularWeight: 341.3364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)(N1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O

Isomeric SMILES

CCC(C(=O)OCC)(N1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)O

InChI

InChI=1S/C14H15NO7S/c1-3-14(23(19,20)21,13(18)22-4-2)15-11(16)9-7-5-6-8-10(9)12(15)17/h5-8H,3-4H2,1-2H3,(H,19,20,21)