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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 7 results

Search term: C64H107N5O45 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58145658

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C64H107N5O45/c1-15-34(81)45(92)48(95)61(100-15)98-13-27-51(43(90)29(56(97)101-27)65-16(2)76)109-60-33(69-20(6)80)44(91)50(26(12-75)107-60)110-62-49(96)53(112-64-55(47(94)39(86)25(11-74)106-64)114-59-32(68-19(5)79)42(89)37(84)23(9-72)104-59)52(111-57-30(66-17(3)77)40(87)35(82)21(7-70)102-57)28(108-62)14-99-63-54(46(93)38(85)24(10-73)105-63)113-58-31(67-18(4)78)41(88)36(83)22(8-71)103-58/h15,21-64,70-75,81-97H,7-14H2,1-6H3,(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,80)/t15-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53+,54-,55-,56?,57-,58-,59-,60-,61+,62-,63-,64+/m0/s1
C64H107N5O451666.54092300
62846411

44 of 44 defined stereocentres - 44/44 defined
InChI=1/C64H107N5O45/c1-16-35(83)46(94)49(97)61(101-16)99-14-23(82)51(36(84)22(7-70)65-17(2)77)109-60-34(69-21(6)81)45(93)52(29(13-76)107-60)110-62-50(98)54(112-64-56(48(96)41(89)28(12-75)106-64)114-59-33(68-20(5)80)44(92)39(87)26(10-73)104-59)53(111-57-31(66-18(3)78)42(90)37(85)24(8-71)102-57)30(108-62)15-100-63-55(47(95)40(88)27(11-74)105-63)113-58-32(67-19(4)79)43(91)38(86)25(9-72)103-58/h7,16,22-64,71-76,82-98H,8-15H2,1-6H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)/t16-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57-,58-,59-,60-,61+,62-,63-,64+/m0/s1
C64H107N5O451666.54092100
128434370

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C64H107N5O45/c1-15-34(80)46(92)49(95)61(101-15)99-14-28-52(44(90)29(56(97)102-28)65-16(2)75)110-60-33(69-20(6)79)45(91)51(25(11-74)107-60)111-62-50(96)53(112-64-55(47(93)38(84)24(10-73)106-64)114-59-32(68-19(5)78)43(89)37(83)23(9-72)105-59)40(86)27(108-62)13-100-63-54(113-58-31(67-18(4)77)42(88)36(82)22(8-71)104-58)48(94)39(85)26(109-63)12-98-57-30(66-17(3)76)41(87)35(81)21(7-70)103-57/h15,21-64,70-74,80-97H,7-14H2,1-6H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,79)/t15-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47-,48-,49-,50-,51+,52+,53-,54-,55-,56+,57+,58-,59-,60-,61+,62-,63-,64+/m0/s1
C64H107N5O451666.54092200
8255818

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C64H107N5O45/c1-15-34(81)45(92)48(95)61(100-15)98-13-27-51(43(90)29(56(97)101-27)65-16(2)76)109-60-33(69-20(6)80)44(91)50(26(12-75)107-60)110-62-49(96)53(112-64-55(47(94)39(86)25(11-74)106-64)114-59-32(68-19(5)79)42(89)37(84)23(9-72)104-59)52(111-57-30(66-17(3)77)40(87)35(82)21(7-70)102-57)28(108-62)14-99-63-54(46(93)38(85)24(10-73)105-63)113-58-31(67-18(4)78)41(88)36(83)22(8-71)103-58/h15,21-64,70-75,81-97H,7-14H2,1-6H3,(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,80)/t15-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45+,46+,47+,48-,49+,50-,51-,52-,53-,54+,55+,56?,57+,58+,59+,60+,61+,62+,63+,64-/m1/s1
C64H107N5O451666.54092100
24606145

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C64H107N5O45/c1-15-34(81)45(92)48(95)61(100-15)98-13-27-51(43(90)29(56(97)101-27)65-16(2)76)109-60-33(69-20(6)80)44(91)50(26(12-75)107-60)110-62-49(96)53(112-64-55(47(94)39(86)25(11-74)106-64)114-59-32(68-19(5)79)42(89)37(84)23(9-72)104-59)52(111-57-30(66-17(3)77)40(87)35(82)21(7-70)102-57)28(108-62)14-99-63-54(46(93)38(85)24(10-73)105-63)113-58-31(67-18(4)78)41(88)36(83)22(8-71)103-58/h15,21-64,70-75,81-97H,7-14H2,1-6H3,(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,80)/t15-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53+,54-,55-,56+,57-,58-,59-,60-,61+,62-,63-,64+/m0/s1
C64H107N5O451666.54091600
128920026

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C64H107N5O45/c1-15-34(82)44(92)47(95)61(99-15)111-52-33(69-20(6)81)60(106-27(13-76)51(52)110-57-30(66-17(3)78)40(88)35(83)21(7-70)101-57)114-55-46(94)38(86)24(10-73)104-64(55)112-53-39(87)28(14-98-63-54(45(93)37(85)23(9-72)103-63)113-58-31(67-18(4)79)41(89)36(84)22(8-71)102-58)107-62(48(53)96)109-50-26(12-75)105-59(32(43(50)91)68-19(5)80)108-49-25(11-74)100-56(97)29(42(49)90)65-16(2)77/h15,21-64,70-76,82-97H,7-14H2,1-6H3,(H,65,77)(H,66,78)(H,67,79)(H,68,80)(H,69,81)/t15-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49+,50+,51+,52+,53-,54-,55-,56?,57-,58-,59-,60-,61-,62-,63-,64+/m0/s1
C64H107N5O451666.54091100
128920224

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C64H107N5O45/c1-15-34(81)45(92)48(95)61(100-15)98-14-28-52(110-57-30(66-17(3)77)40(87)35(82)21(7-70)102-57)44(91)33(69-20(6)80)60(108-28)113-54-46(93)37(84)23(9-72)104-63(54)99-13-27-39(86)53(112-64-55(47(94)38(85)24(10-73)105-64)114-58-31(67-18(4)78)41(88)36(83)22(8-71)103-58)49(96)62(107-27)111-51-26(12-75)106-59(32(43(51)90)68-19(5)79)109-50-25(11-74)101-56(97)29(42(50)89)65-16(2)76/h15,21-64,70-75,81-97H,7-14H2,1-6H3,(H,65,76)(H,66,77)(H,67,78)(H,68,79)(H,69,80)/t15-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56?,57-,58-,59-,60-,61+,62-,63-,64+/m0/s1
C64H107N5O451666.54091100

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