Chem
J-GLOBAL ID:200907053693125029
Nikkaji number:J2.254.026B
3,3-Bis(4-methoxyphenyl)-5,10-dimethyl-8-isopropyl-6,9-ethano-1,2,3,6,9,10a-hexahydrobenzo[a]azulene-1,1,2,2,11,11,12,12-octacarbonitrile
3,3-ビス(4-メトキシフェニル)-5,10-ジメチル-8-イソプロピル-6,9-エタノ-1,2,3,6,9,10a-ヘキサヒドロベンゾ[a]アズレン-1,1,2,2,11,11,12,12-オクタカルボニトリル
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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:
C43 H32 N8 O2
Molecular formula furigana:
C43-H32-N8-O2
Molecular weight:
692.783
InChI:
InChI=1S/C43H32N8O2/c1-25(2)32-15-34-26(3)35-33-16-43(28-7-11-30(52-5)12-8-28,29-9-13-31(53-6)14-10-29)42(23-50,24-51)41(21-48,22-49)37(33)27(4)36(35)38(32)40(19-46,20-47)39(34,17-44)18-45/h7-16,25,34,37-38H,1-6H3
InChI key:
QSWMOZBNOVFJNH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(C=C2C(C(=C3C4C(=CC(C(=C23)C)C(C#N)(C#N)C4(C#N)C#N)C(C)C)C)C(C#N)(C#N)C1(C#N)C#N)c1ccc(OC)cc1
Systematic name (3):
3,3-ビス(4-メトキシフェニル)-5,10-ジメチル-8-イソプロピル-6,9-エタノ-1,2,3,6,9,10a-ヘキサヒドロベンゾ[a]アズレン-1,1,2,2,11,11,12,12-オクタカルボニトリル
7,7-ビス(4-メトキシフェニル)-3,11-ジメチル-15-(プロパン-2-イル)テトラシクロ[10.2.2.02,10 .04,9 ]ヘキサデカ-2,8,10,15-テトラエン-5,5,6,6,13,13,14,14-オクタカルボニトリル
7,7-bis(4-methoxyphenyl)-3,11-dimethyl-15-(propan-2-yl)tetracyclo[10.2.2.02,10 .04,9 ]hexadeca-2,8,10,15-tetraen-5,5,6,6,13,13,14,14-octacarbonitrile
Other name (1):
3,3-Bis(4-methoxyphenyl)-5,10-dimethyl-8-isopropyl-6,9-ethano-1,2,3,6,9,10a-hexahydrobenzo[a]azulene-1,1,2,2,11,11,12,12-octacarbonitrile
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