6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexane-1-sulfonic acid; sodium

Systemtic Name: 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexane-1-sulfonic acid; sodium Openeye Name: 6-(1,3-dioxoisoindolin-2-yl)hexane-1-sulfonic acid; sodium CAS Name: 6-(1,3-dioxo-2-isoindolyl)-1-hexanesulfonic acid; sodium IUPAC Name: 6-(1,3-dioxoisoindol-2-yl)hexane-1-sulfonic acid; sodium Traditional Name: 6-phthalimidohexane-1-sulfonic acid; sodium Formula: C14H17NNaO5S MolecularWeight: 334.34325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCS(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCS(=O)(=O)O.[Na]

InChI

InChI=1S/C14H17NO5S.Na/c16-13-11-7-3-4-8-12(11)14(17)15(13)9-5-1-2-6-10-21(18,19)20;/h3-4,7-8H,1-2,5-6,9-10H2,(H,18,19,20);