4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl hydrogen sulfate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl hydrogen sulfate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl hydrogen sulfate CAS Name: 4-(1,3-dioxo-2-isoindolyl)-1-butanesulfenic acid IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid (4-phthalimidobutylthio) ester Formula: C12H13NO6S2 MolecularWeight: 331.36472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSOS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCSOS(=O)(=O)O

InChI

InChI=1S/C12H13NO6S2/c14-11-9-5-1-2-6-10(9)12(15)13(11)7-3-4-8-20-19-21(16,17)18/h1-2,5-6H,3-4,7-8H2,(H,16,17,18)