4-[[2,6-bis(octylsulfanyl)pyrimidin-4-yl]amino]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[[2,6-bis(octylsulfanyl)pyrimidin-4-yl]amino]-2,6-ditert-butyl-phenol Openeye Name: 4-[[2,6-bis(octylsulfanyl)pyrimidin-4-yl]amino]-2,6-ditert-butyl-phenol CAS Name: 4-[[2,6-bis(octylthio)-4-pyrimidinyl]amino]-2,6-ditert-butylphenol IUPAC Name: 4-[[2,6-bis(octylsulfanyl)pyrimidin-4-yl]amino]-2,6-ditert-butylphenol Traditional Name: 4-[[2,6-bis(octylthio)pyrimidin-4-yl]amino]-2,6-ditert-butyl-phenol Formula: C34H57N3OS2 MolecularWeight: 587.96588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=C1)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCCCCCCCC

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=C1)NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)SCCCCCCCC

InChI

InChI=1S/C34H57N3OS2/c1-9-11-13-15-17-19-21-39-30-25-29(36-32(37-30)40-22-20-18-16-14-12-10-2)35-26-23-27(33(3,4)5)31(38)28(24-26)34(6,7)8/h23-25,38H,9-22H2,1-8H3,(H,35,36,37)