Chem
J-GLOBAL ID：201607001233654444
Nikkaji number：J3.500.359B
[Oxy[(2S)-1-oxo-2-tert-butyl-3-aza-3-butene-1,4-diyl][(aR)-2′-hydroxy-3′-(1,1′:3′,1′′-terbenzene-5′-yl)-1,1′-binaphthalene-3,2-diyl]oxy] vanadium(V)
(5S)-5-tert-ブチル-13-(2-ヒドロキシ-3-{5-フェニル-[1,1'-ビフェニル]-3-イル}ナフタレン-1-イル)-4H,5H-ナフト[2,3-h]1,3-ジオキサ-6-アザ-2-バナダシクロノナン-4-オン
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
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
Molecular formula： C45H35NO4V
Molecular formula furigana： C45-H35-N-O4-V
Molecular weight： 704.720
InChI：
InChI=1S/C45H37NO4.V/c1-45(2,3)43(44(49)50)46-27-35-22-30-18-10-12-20-36(30)39(41(35)47)40-37-21-13-11-19-31(37)26-38(42(40)48)34-24-32(28-14-6-4-7-15-28)23-33(25-34)29-16-8-5-9-17-29;/h4-27,43,47-48H,1-3H3,(H,49,50);/q;+2/p-2/t43-;/m1./s1
InChI key：
QXNDFCPEOBRVNI-PNGJSFTGSA-L
SMILES：
CC(C)(C)[C@@H]1N=Cc2cc3ccccc3c(c2O[V]OC1=O)c1c(O)c(cc2ccccc12)c1cc(cc(c1)c1ccccc1)c1ccccc1
Systematic name (3)：
- [オキシ[(2S)-1-オキソ-2-tert-ブチル-3-アザ-3-ブテン-1,4-ジイル][(aR)-2′-ヒドロキシ-3′-(1,1′:3′,1′′-テルベンゼン-5′-イル)-1,1′-ビナフタレン-3,2-ジイル]オキシ]バナジウム(V)
- (5S)-5-tert-ブチル-13-(2-ヒドロキシ-3-{5-フェニル-[1,1'-ビフェニル]-3-イル}ナフタレン-1-イル)-4H,5H-ナフト[2,3-h]1,3-ジオキサ-6-アザ-2-バナダシクロノナン-4-オン
- (5S)-5-tert-butyl-13-(2-hydroxy-3-{5-phenyl-[1,1'-biphenyl]-3-yl}naphthalen-1-yl)-4H,5H-naphtho[2,3-h]1,3-dioxa-6-aza-2-vanadacyclononan-4-one
- [Oxy[(2S)-1-oxo-2-tert-butyl-3-aza-3-butene-1,4-diyl][(aR)-2′-hydroxy-3′-(1,1′:3′,1′′-terbenzene-5′-yl)-1,1′-binaphthalene-3,2-diyl]oxy] vanadium(V)
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