[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropan-2-ylsulfanyl]phenyl] 4-nitrooxybutanoate

Systemtic Name: [2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpropan-2-ylsulfanyl]phenyl] 4-nitrooxybutanoate Openeye Name: [2,6-ditert-butyl-4-[1-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-methyl-ethyl]sulfanyl-phenyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [2,6-ditert-butyl-4-[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]propan-2-ylthio]phenyl] ester IUPAC Name: [2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [2,6-ditert-butyl-4-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-1-methyl-ethyl]thio]phenyl] ester Formula: C35H53NO6S2 MolecularWeight: 647.92842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCCO[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCCO[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C35H53NO6S2/c1-31(2,3)24-18-22(19-25(29(24)38)32(4,5)6)43-35(13,14)44-23-20-26(33(7,8)9)30(27(21-23)34(10,11)12)42-28(37)16-15-17-41-36(39)40/h18-21,38H,15-17H2,1-14H3