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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 9 results

Search term: C62H104N4O46 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28295986

44 of 44 defined stereocentres - 44/44 defined
InChI=1/C62H104N4O46/c1-15(76)63-19(5-67)32(81)48(20(80)6-68)106-55-29(64-16(2)77)38(87)51(27(13-75)102-55)109-60-47(96)52(110-62-54(44(93)36(85)24(10-72)101-62)112-57-31(66-18(4)79)40(89)50(26(12-74)104-57)108-59-46(95)42(91)34(83)22(8-70)99-59)37(86)28(105-60)14-97-61-53(43(92)35(84)23(9-71)100-61)111-56-30(65-17(3)78)39(88)49(25(11-73)103-56)107-58-45(94)41(90)33(82)21(7-69)98-58/h5,19-62,68-75,80-96H,6-14H2,1-4H3,(H,63,76)(H,64,77)(H,65,78)(H,66,79)/t19-,20+,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+/m0/s1
C62H104N4O461641.4884162000
2338895

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C62H104N4O46/c1-14(75)63-27-39(87)31(79)18(5-67)97-54(27)96-13-26-48(106-61-52(110-55-28(64-15(2)76)40(88)32(80)19(6-68)98-55)50(37(85)24(11-73)103-61)108-58-45(93)42(90)34(82)21(8-70)100-58)49(30(66-17(4)78)57(105-26)112-60-47(95)44(92)36(84)23(10-72)102-60)107-62-53(111-56-29(65-16(3)77)41(89)33(81)20(7-69)99-56)51(38(86)25(12-74)104-62)109-59-46(94)43(91)35(83)22(9-71)101-59/h18-62,67-74,79-95H,5-13H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t18-,19-,20-,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-/m1/s1
C62H104N4O461641.488366600
2848319

0 of 44 defined stereocentres - 0/44 defined
InChI=1/C62H104N4O46/c1-15(76)63-19(5-67)32(81)48(20(80)6-68)106-55-29(64-16(2)77)38(87)51(27(13-75)102-55)109-60-47(96)52(110-62-54(44(93)36(85)24(10-72)101-62)112-57-31(66-18(4)79)40(89)50(26(12-74)104-57)108-59-46(95)42(91)34(83)22(8-70)99-59)37(86)28(105-60)14-97-61-53(43(92)35(84)23(9-71)100-61)111-56-30(65-17(3)78)39(88)49(25(11-73)103-56)107-58-45(94)41(90)33(82)21(7-69)98-58/h5,19-62,68-75,80-96H,6-14H2,1-4H3,(H,63,76)(H,64,77)(H,65,78)(H,66,79)
C62H104N4O461641.488364200
8278586

44 of 45 defined stereocentres - 44/45 defined
InChI=1/C62H104N4O46/c1-14(75)63-27-36(84)47(22(9-71)97-54(27)95)106-55-28(64-15(2)76)37(85)50(25(12-74)102-55)109-60-46(94)51(110-62-53(43(91)34(82)21(8-70)101-62)112-57-30(66-17(4)78)39(87)49(24(11-73)104-57)108-59-45(93)41(89)32(80)19(6-68)99-59)35(83)26(105-60)13-96-61-52(42(90)33(81)20(7-69)100-61)111-56-29(65-16(3)77)38(86)48(23(10-72)103-56)107-58-44(92)40(88)31(79)18(5-67)98-58/h18-62,67-74,79-95H,5-13H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t18-,19-,20-,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-/m1/s1
C62H104N4O461641.48844300
24606131

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C62H104N4O46/c1-14(75)63-27-36(84)47(22(9-71)97-54(27)95)106-55-28(64-15(2)76)37(85)50(25(12-74)102-55)109-60-46(94)51(110-62-53(43(91)34(82)21(8-70)101-62)112-57-30(66-17(4)78)39(87)49(24(11-73)104-57)108-59-45(93)41(89)32(80)19(6-68)99-59)35(83)26(105-60)13-96-61-52(42(90)33(81)20(7-69)100-61)111-56-29(65-16(3)77)38(86)48(23(10-72)103-56)107-58-44(92)40(88)31(79)18(5-67)98-58/h18-62,67-74,79-95H,5-13H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t18-,19-,20-,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-/m1/s1
C62H104N4O461641.48843900
28533271

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C62H104N4O46/c1-14(75)63-27-38(86)47(24(11-73)97-54(27)95)106-55-28(64-15(2)76)39(87)48(25(12-74)104-55)107-60-46(94)51(110-62-53(43(91)34(82)21(8-70)103-62)112-57-30(66-17(4)78)50(36(84)23(10-72)99-57)109-59-45(93)41(89)32(80)19(6-68)101-59)37(85)26(105-60)13-96-61-52(42(90)33(81)20(7-69)102-61)111-56-29(65-16(3)77)49(35(83)22(9-71)98-56)108-58-44(92)40(88)31(79)18(5-67)100-58/h18-62,67-74,79-95H,5-13H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t18-,19-,20-,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-/m1/s1
C62H104N4O461641.48842300
62846410

44 of 44 defined stereocentres - 44/44 defined
InChI=1/C62H104N4O46/c1-15(75)63-19(5-67)32(80)49(20(79)6-68)107-57-31(66-18(4)78)41(89)50(26(12-74)104-57)108-61-48(96)53(111-62-54(44(92)37(85)25(11-73)103-62)112-56-30(65-17(3)77)40(88)34(82)22(8-70)100-56)51(109-55-29(64-16(2)76)39(87)33(81)21(7-69)99-55)28(106-61)14-98-59-47(95)52(110-60-46(94)43(91)36(84)24(10-72)102-60)38(86)27(105-59)13-97-58-45(93)42(90)35(83)23(9-71)101-58/h5,19-62,68-74,79-96H,6-14H2,1-4H3,(H,63,75)(H,64,76)(H,65,77)(H,66,78)/t19-,20+,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+/m0/s1
C62H104N4O461641.48842100
9847372

36 of 45 defined stereocentres - 36/45 defined
InChI=1/C62H104N4O46/c1-14(76)63-27-32(81)46(19(6-68)96-54(27)95)105-55-29(65-16(3)78)34(83)48(21(8-70)99-55)108-60-44(93)39(88)52(25(12-74)103-60)112-62-45(94)40(89)53(26(13-75)104-62)111-61-42(91)37(86)50(23(10-72)101-61)107-57-28(64-15(2)77)33(82)47(20(7-69)98-57)106-56-30(66-17(4)79)35(84)49(22(9-71)100-56)109-59-43(92)38(87)51(24(11-73)102-59)110-58-41(90)36(85)31(80)18(5-67)97-58/h18-62,67-75,80-95H,5-13H2,1-4H3,(H,63,76)(H,64,77)(H,65,78)(H,66,79)/t18-,19-,20-,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?/m1/s1
C62H104N4O461641.48842100
24606137

45 of 45 defined stereocentres - 45/45 defined
InChI=1/C62H104N4O46/c1-14(74)63-27-39(86)48(23(10-72)98-54(27)95)107-57-30(66-17(4)77)40(87)49(24(11-73)104-57)108-61-47(94)52(111-62-53(43(90)35(82)22(9-71)103-62)112-56-29(65-16(3)76)38(85)32(79)19(6-68)100-56)50(109-55-28(64-15(2)75)37(84)31(78)18(5-67)99-55)26(106-61)13-97-59-46(93)51(110-60-45(92)42(89)34(81)21(8-70)102-60)36(83)25(105-59)12-96-58-44(91)41(88)33(80)20(7-69)101-58/h18-62,67-73,78-95H,5-13H2,1-4H3,(H,63,74)(H,64,75)(H,65,76)(H,66,77)/t18-,19-,20-,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-/m1/s1
C62H104N4O461641.48841600

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