Chem
J-GLOBAL ID:200907002047717941
Nikkaji number:J2.192.196C
5,11,17,23-Tetracyano-24,4-(methylenebisoxy)-6,10-(methylenebisoxy)-12,16-(methylenebisoxy)-18,22-(methylenebisoxy)-2,8,14,20-tetraundecylpentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
5,11,17,23-テトラシアノ-24,4-(メチレンビスオキシ)-6,10-(メチレンビスオキシ)-12,16-(メチレンビスオキシ)-18,22-(メチレンビスオキシ)-2,8,14,20-テトラウンデシルペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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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:
C80 H108 N4 O8
Molecular formula furigana:
C80-H108-N4-O8
Molecular weight:
1253.764
InChI:
InChI=1S/C80H108N4O8/c1-5-9-13-17-21-25-29-33-37-41-57-61-45-63-58(42-38-34-30-26-22-18-14-10-6-2)65-47-67-60(44-40-36-32-28-24-20-16-12-8-4)68-48-66-59(43-39-35-31-27-23-19-15-11-7-3)64-46-62(57)74-70(50-82)76(64)88-55-90-78(66)72(52-84)80(68)92-56-91-79(67)71(51-83)77(65)89-54-87-75(63)69(49-81)73(61)85-53-86-74/h45-48,57-60H,5-44,53-56H2,1-4H3
InChI key:
GNQOFYWTYJKZIB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC1c2cc3C(CCCCCCCCCCC)c4cc5C(CCCCCCCCCCC)c6cc7C(CCCCCCCCCCC)c8cc1c1OCOc2c(C#N)c3OCOc4c(C#N)c5OCOc6c(C#N)c7OCOc8c1C#N
Systematic name (1):
5,11,17,23-テトラシアノ-24,4-(メチレンビスオキシ)-6,10-(メチレンビスオキシ)-12,16-(メチレンビスオキシ)-18,22-(メチレンビスオキシ)-2,8,14,20-テトラウンデシルペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
Other name (1):
5,11,17,23-Tetracyano-24,4-(methylenebisoxy)-6,10-(methylenebisoxy)-12,16-(methylenebisoxy)-18,22-(methylenebisoxy)-2,8,14,20-tetraundecylpentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
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