2-[3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propylsulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylsulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylthio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propylsulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propylthio]propyl]isoindoline-1,3-quinone Formula: C28H37NO3S MolecularWeight: 467.66328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCCSCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C28H37NO3S/c1-27(2,3)22-17-19(18-23(24(22)30)28(4,5)6)11-9-15-33-16-10-14-29-25(31)20-12-7-8-13-21(20)26(29)32/h7-8,12-13,17-18,30H,9-11,14-16H2,1-6H3