Chem
J-GLOBAL ID:200907002397961772   Nikkaji number:J2.165.531G

4-[9-Anthryl(ethoxycarbonylamino)methyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin 4-oxide

4-[9-アントリル(エトキシカルボニルアミノ)メチル]ジナフト[2,1-d:1′,2′-f][1,3,2]ジオキサホスフェピン4-オキシド
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: C38H28NO4[O-][P+]
Molecular formula furigana: C38-H28-N-O5-P
Molecular weight: 609.618
InChI: InChI=1S/C38H28NO5P/c1-2-42-38(40)39-37(34-30-17-9-5-13-26(30)23-27-14-6-10-18-31(27)34)45(41)43-32-21-19-24-11-3-7-15-28(24)35(32)36-29-16-8-4-12-25(29)20-22-33(36)44-45/h3-23,37H,2H2,1H3,(H,39,40)
InChI key: CSYRLBFCCJMOGN-UHFFFAOYSA-N
SMILES: CCOC(=O)NC(c1c2ccccc2cc2ccccc12)[P+]1([O-])Oc2ccc3ccccc3c2c2c(O1)ccc1ccccc21
Systematic name  (3):
  • 4-[9-アントリル(エトキシカルボニルアミノ)メチル]ジナフト[2,1-d:1′,2′-f][1,3,2]ジオキサホスフェピン4-オキシド
  • 13-[(アントラセン-9-イル)[(エトキシカルボニル)アミノ]メチル]-12,14-ジオキサ-13-ホスファペンタシクロ[13.8.0.02,11.03,8.018,23]トリコサ-1(23),2,4,6,8,10,15,17,19,21-デカエン-13-イウム-13-オラート
  • 13-[(anthracen-9-yl)[(ethoxycarbonyl)amino]methyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-13-ium-13-olate
Other name (1):
  • 4-[9-Anthryl(ethoxycarbonylamino)methyl]dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin 4-oxide
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