2-[(4R,5S)-5-bromanyl-4-oxidanyl-6-phenylsulfanyl-hexyl]isoindole-1,3-dione

Systemtic Name: 2-[(4R,5S)-5-bromanyl-4-oxidanyl-6-phenylsulfanyl-hexyl]isoindole-1,3-dione Openeye Name: 2-[(4R,5S)-5-bromo-4-hydroxy-6-phenylsulfanyl-hexyl]isoindoline-1,3-dione CAS Name: 2-[(4R,5S)-5-bromo-4-hydroxy-6-(phenylthio)hexyl]isoindole-1,3-dione IUPAC Name: 2-[(4R,5S)-5-bromo-4-hydroxy-6-phenylsulfanylhexyl]isoindole-1,3-dione Traditional Name: 2-[(4R,5S)-5-bromo-4-hydroxy-6-(phenylthio)hexyl]isoindoline-1,3-quinone Formula: C20H20BrNO3S MolecularWeight: 434.3467

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(C(CCCN2C(=O)C3=CC=CC=C3C2=O)O)Br

Isomeric SMILES

C1=CC=C(C=C1)SC[C@H]([C@@H](CCCN2C(=O)C3=CC=CC=C3C2=O)O)Br

InChI

InChI=1S/C20H20BrNO3S/c21-17(13-26-14-7-2-1-3-8-14)18(23)11-6-12-22-19(24)15-9-4-5-10-16(15)20(22)25/h1-5,7-10,17-18,23H,6,11-13H2/t17-,18-/m1/s1