8-[1,3-bis(oxidanylidene)isoindol-2-yl]octylsulfanyl hydrogen sulfate

Systemtic Name: 8-[1,3-bis(oxidanylidene)isoindol-2-yl]octylsulfanyl hydrogen sulfate Openeye Name: 8-(1,3-dioxoisoindolin-2-yl)octylsulfanyl hydrogen sulfate CAS Name: 8-(1,3-dioxo-2-isoindolyl)-1-octanesulfenic acid IUPAC Name: 8-(1,3-dioxoisoindol-2-yl)octylsulfanyl hydrogen sulfate Traditional Name: sulfuric acid (8-phthalimidooctylthio) ester Formula: C16H21NO6S2 MolecularWeight: 387.47104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6S2/c18-15-13-9-5-6-10-14(13)16(19)17(15)11-7-3-1-2-4-8-12-24-23-25(20,21)22/h5-6,9-10H,1-4,7-8,11-12H2,(H,20,21,22)