Chem
J-GLOBAL ID:201507034065430141
Nikkaji number:J3.370.460G
5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[4-(sodiooxysulfonyl)butoxy]pentacyclo[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-tert-ブチル-25,26,27,28-テトラキス[4-(ソジオオキシスルホニル)ブトキシ]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:
C60 H84 Na4 O16 S4
Molecular formula furigana:
C60-H84-NA4-O16-S4
Molecular weight:
1281.520
InChI:
InChI=1S/C60H88O16S4.4Na/c1-57(2,3)49-33-41-29-43-35-50(58(4,5)6)37-45(54(43)74-22-14-18-26-78(64,65)66)31-47-39-52(60(10,11)12)40-48(56(47)76-24-16-20-28-80(70,71)72)32-46-38-51(59(7,8)9)36-44(55(46)75-23-15-19-27-79(67,68)69)30-42(34-49)53(41)73-21-13-17-25-77(61,62)63;;;;/h33-40H,13-32H2,1-12H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4
InChI key:
OXWZIKYEGNVPCP-UHFFFAOYSA-J
SMILES:
CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCCS(=O)(=O)O[Na])c5OCCCCS(=O)(=O)O[Na])C(C)(C)C)c4OCCCCS(=O)(=O)O[Na])C(C)(C)C)c3OCCCCS(=O)(=O)O[Na])C(C)(C)C
Systematic name (3):
5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラキス[4-(ソジオオキシスルホニル)ブトキシ]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
ナトリウム 4-{[5,11,17,23-テトラ-tert-ブチル-26,27,28-トリス({4-[(ソジオオキシ)スルホニル]ブトキシ})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-25-イル]オキシ}ブタン-1-スルホナート
sodium 4-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris({4-[(sodiooxy)sulfonyl]butoxy})pentacyclo[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-25-yl]oxy}butane-1-sulfonate
Other name (1):
5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis[4-(sodiooxysulfonyl)butoxy]pentacyclo[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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