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Substance Name: Acetyltannic acid [USP]
RN: 1397-74-6
UNII: 6S8G786WHK
InChIKey: JMNLNJOTFKOLGH-HXSAIMRVSA-N

Molecular Weight

  • 1821.304
 
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Names and Synonyms

Name of Substance

  • Acetyltannic acid [USP]

Synonyms

  • Acetyltannic acid
  • EINECS 215-741-7
  • UNII-6S8G786WHK

Systematic Name

  • Acetyltannic acid

Registry Numbers

CAS Registry Number

  • 1397-74-6

FDA UNII

  • 6S8G786WHK

System Generated Number

  • 0001397746

Structure Descriptors

InChI

1S/C76H52O46.2C2H4O2/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26;2*1-2(3)4/h1-20,52,63-65,76-101H,21H2;2*1H3,(H,3,4)/t52-,63-,64+,65-,76+;;/m0../s1

InChIKey

JMNLNJOTFKOLGH-HXSAIMRVSA-N

Smiles

[C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1OC(=O)c1cc(c(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)COC(=O)c1cc(c(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O.C(=O)(O)C.C(=O)(O)C