(6-octyl-3-oxidanylidene-isoindol-1-yl) hydrogen sulfate

Systemtic Name: (6-octyl-3-oxidanylidene-isoindol-1-yl) hydrogen sulfate Openeye Name: (6-octyl-3-oxo-isoindol-1-yl) hydrogen sulfate CAS Name: sulfuric acid (6-octyl-3-oxo-1-isoindolyl) ester IUPAC Name: (6-octyl-3-oxoisoindol-1-yl) hydrogen sulfate Traditional Name: sulfuric acid (3-keto-6-octyl-isoindol-1-yl) ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)C(=O)N=C2OS(=O)(=O)O

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)C(=O)N=C2OS(=O)(=O)O

InChI

InChI=1S/C16H21NO5S/c1-2-3-4-5-6-7-8-12-9-10-13-14(11-12)16(17-15(13)18)22-23(19,20)21/h9-11H,2-8H2,1H3,(H,19,20,21)