Chem
J-GLOBAL ID：200907065080795348
Nikkaji number：J2.691.259H
Octakis[2-(benzoylthio)acetic acid]2,8,14,20-tetramethylpentacyclo[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-4,6,10,12,16,18,22,24-octayl ester
オクタキス[2-(ベンゾイルチオ)酢酸]2,8,14,20-テトラメチルペンタシクロ[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-4,6,10,12,16,18,22,24-オクタイル
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： C104H80O24S8
Molecular formula furigana： C104-H80-O24-S8
Molecular weight： 1970.240
InChI：
InChI=1S/C104H80O24S8/c1-61-73-45-75(83(123-91(107)55-131-99(115)67-33-17-7-18-34-67)49-81(73)121-89(105)53-129-97(113)65-29-13-5-14-30-65)62(2)77-47-79(87(127-95(111)59-135-103(119)71-41-25-11-26-42-71)51-85(77)125-93(109)57-133-101(117)69-37-21-9-22-38-69)64(4)80-48-78(86(126-94(110)58-134-102(118)70-39-23-10-24-40-70)52-88(80)128-96(112)60-136-104(120)72-43-27-12-28-44-72)63(3)76-46-74(61)82(122-90(106)54-130-98(114)66-31-15-6-16-32-66)50-84(76)124-92(108)56-132-100(116)68-35-19-8-20-36-68/h5-52,61-64H,53-60H2,1-4H3
InChI key：
ADCSLSQBWZLTNC-UHFFFAOYSA-N
SMILES：
CC1c2cc(C(C)c3cc(C(C)c4cc(C(C)c5cc1c(OC(=O)CSC(=O)c1ccccc1)cc5OC(=O)CSC(=O)c1ccccc1)c(OC(=O)CSC(=O)c1ccccc1)cc4OC(=O)CSC(=O)c1ccccc1)c(OC(=O)CSC(=O)c1ccccc1)cc3OC(=O)CSC(=O)c1ccccc1)c(OC(=O)CSC(=O)c1ccccc1)cc2OC(=O)CSC(=O)c1ccccc1
Systematic name (3)：
- オクタキス[2-(ベンゾイルチオ)酢酸]2,8,14,20-テトラメチルペンタシクロ[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-4,6,10,12,16,18,22,24-オクタイル
- 6,10,12,16,18,22,24-ヘプタキス({[2-(ベンゾイルスルファニル)アセチル]オキシ})-2,8,14,20-テトラメチルペンタシクロ[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-4-イル 2-(ベンゾイルスルファニル)アセタート
- 6,10,12,16,18,22,24-heptakis({[2-(benzoylsulfanyl)acetyl]oxy})-2,8,14,20-tetramethylpentacyclo[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-dodecaen-4-yl 2-(benzoylsulfanyl)acetate
- Octakis[2-(benzoylthio)acetic acid]2,8,14,20-tetramethylpentacyclo[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-4,6,10,12,16,18,22,24-octayl ester
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