Chem
J-GLOBAL ID:200907050345674710   Nikkaji number:J2.101.037E

6α,13α-(tert-Butoxycarbonyliminosulfinyl)-6,13-dihydropentacene

6α,13α-(tert-ブトキシカルボニルイミノスルフィニル)-6,13-ジヒドロペンタセン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C27H23NO3S
Molecular formula furigana: C27-H23-N-O3-S
Molecular weight: 441.550
InChI: InChI=1S/C27H23NO3S/c1-27(2,3)31-26(29)28-24-20-12-16-8-4-6-10-18(16)14-22(20)25(32(28)30)23-15-19-11-7-5-9-17(19)13-21(23)24/h4-15,24-25H,1-3H3/t24-,25+,32?
InChI key: VQUHUWBRYQBGLV-FCLIONODSA-N
SMILES: CC(C)(C)OC(=O)N1[C@H]2c3cc4ccccc4cc3[C@H](c3cc4ccccc4cc23)S1=O
Systematic name  (3):
  • 6α,13α-(tert-ブトキシカルボニルイミノスルフィニル)-6,13-ジヒドロペンタセン
  • tert-ブチル (1s,12s)-23-オキソ-23λ4-チア-24-アザヘキサシクロ[10.10.2.02,11.04,9.013,22.015,20]テトラコサ-2(11),3,5,7,9,13(22),14,16,18,20-デカエン-24-カルボキシラート
  • tert-butyl (1s,12s)-23-oxo-23λ4-thia-24-azahexacyclo[10.10.2.02,11.04,9.013,22.015,20]tetracosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene-24-carboxylate
Other name (1):
  • 6α,13α-(tert-Butoxycarbonyliminosulfinyl)-6,13-dihydropentacene
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