2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl butane-1-sulfonate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl butane-1-sulfonate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl butane-1-sulfonate Traditional Name: butane-1-sulfonic acid 2-phthalimidoethyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OCCN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCCCS(=O)(=O)OCCN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H17NO5S/c1-2-3-10-21(18,19)20-9-8-15-13(16)11-6-4-5-7-12(11)14(15)17/h4-7H,2-3,8-10H2,1H3