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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 13 results

Search term: C46H78N2O36 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2339143

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C46H78N2O36/c1-11(56)47-13(3-49)37(81-41-21(48-12(2)57)28(64)22(58)14(4-50)74-41)38(82-43-34(70)30(66)24(60)16(6-52)76-43)20(10-73-42-33(69)29(65)23(59)15(5-51)75-42)80-46-40(84-45-36(72)32(68)26(62)18(8-54)78-45)39(27(63)19(9-55)79-46)83-44-35(71)31(67)25(61)17(7-53)77-44/h3,13-46,50-55,58-72H,4-10H2,1-2H3,(H,47,56)(H,48,57)/t13-,14+,15+,16+,17+,18+,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+/m0/s1
C46H78N2O361235.103324400
24606139

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C46H78N2O36/c1-10(54)47-19-26(61)36(15(6-52)74-40(19)71)81-41-20(48-11(2)55)27(62)37(16(7-53)78-41)82-46-35(70)39(84-45-33(68)30(65)23(58)14(5-51)77-45)25(60)18(80-46)9-73-43-34(69)38(83-44-32(67)29(64)22(57)13(4-50)76-44)24(59)17(79-43)8-72-42-31(66)28(63)21(56)12(3-49)75-42/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,13-,14-,15-,16-,17-,18-,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+/m1/s1
C46H78N2O361235.10333900
26325744

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C46H78N2O36/c1-10(54)47-19-28(63)36(16(7-53)74-40(19)71)81-45-35(70)38(83-46-39(31(66)24(59)15(6-52)78-46)84-41-20(48-11(2)55)27(62)21(56)12(3-49)75-41)26(61)18(80-45)9-73-43-34(69)37(82-44-33(68)30(65)23(58)14(5-51)77-44)25(60)17(79-43)8-72-42-32(67)29(64)22(57)13(4-50)76-42/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,13-,14-,15-,16-,17-,18-,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-/m1/s1
C46H78N2O361235.10333300
62846409

34 of 34 defined stereocentres - 34/34 defined
InChI=1/C46H78N2O36/c1-11(55)47-13(3-49)22(58)37(14(57)4-50)81-41-21(48-12(2)56)28(64)38(18(8-54)78-41)82-46-36(72)40(84-45-34(70)31(67)25(61)17(7-53)77-45)27(63)20(80-46)10-74-43-35(71)39(83-44-33(69)30(66)24(60)16(6-52)76-44)26(62)19(79-43)9-73-42-32(68)29(65)23(59)15(5-51)75-42/h3,13-46,50-54,57-72H,4-10H2,1-2H3,(H,47,55)(H,48,56)/t13-,14+,15+,16+,17+,18+,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-/m0/s1
C46H78N2O361235.10332100
2557550

0 of 34 defined stereocentres - 0/34 defined
InChI=1/C46H78N2O36/c1-11(55)47-13(3-49)22(58)37(14(57)4-50)81-41-21(48-12(2)56)28(64)38(18(8-54)78-41)82-46-36(72)40(84-45-34(70)31(67)25(61)17(7-53)77-45)27(63)20(80-46)10-74-43-35(71)39(83-44-33(69)30(66)24(60)16(6-52)76-44)26(62)19(79-43)9-73-42-32(68)29(65)23(59)15(5-51)75-42/h3,13-46,50-54,57-72H,4-10H2,1-2H3,(H,47,55)(H,48,56)
C46H78N2O361235.10332100
88294128

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C46H78N2O36/c1-10(55)47-19-26(62)35(16(7-53)73-40(19)71)80-41-20(48-11(2)56)27(63)36(17(8-54)78-41)81-44-34(70)37(25(61)18(79-44)9-72-42-32(68)28(64)21(57)12(3-49)74-42)82-45-39(31(67)24(60)14(5-51)76-45)84-46-38(30(66)23(59)15(6-52)77-46)83-43-33(69)29(65)22(58)13(4-50)75-43/h12-46,49-54,57-71H,3-9H2,1-2H3,(H,47,55)(H,48,56)/t12-,13-,14-,15-,16-,17-,18-,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-/m1/s1
C46H78N2O361235.10332200
88294163

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C46H78N2O36/c1-10(55)47-19-26(62)35(16(7-53)73-40(19)71)80-41-20(48-11(2)56)27(63)36(17(8-54)78-41)81-44-34(70)37(25(61)18(79-44)9-72-42-32(68)28(64)21(57)12(3-49)74-42)82-45-39(31(67)24(60)14(5-51)76-45)84-46-38(30(66)23(59)15(6-52)77-46)83-43-33(69)29(65)22(58)13(4-50)75-43/h12-46,49-54,57-71H,3-9H2,1-2H3,(H,47,55)(H,48,56)/t12-,13-,14-,15-,16-,17-,18-,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-/m1/s1
C46H78N2O361235.10332200
88294214

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C46H78N2O36/c1-10(54)47-19-26(61)36(15(6-52)74-40(19)71)81-41-20(48-11(2)55)27(62)37(16(7-53)78-41)82-46-35(70)39(84-45-33(68)30(65)23(58)14(5-51)77-45)25(60)18(80-46)9-73-43-34(69)38(83-44-32(67)29(64)22(57)13(4-50)76-44)24(59)17(79-43)8-72-42-31(66)28(63)21(56)12(3-49)75-42/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,13-,14-,15-,16-,17-,18-,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+/m1/s1
C46H78N2O361235.10332200
4450551

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C46H78N2O36/c1-10(55)47-19-26(62)35(80-43-32(68)28(64)21(57)12(3-49)74-43)16(7-53)78-41(19)83-38-30(66)23(59)14(5-51)76-45(38)72-9-18-25(61)37(34(70)40(71)73-18)82-46-39(31(67)24(60)15(6-52)77-46)84-42-20(48-11(2)56)27(63)36(17(8-54)79-42)81-44-33(69)29(65)22(58)13(4-50)75-44/h12-46,49-54,57-71H,3-9H2,1-2H3,(H,47,55)(H,48,56)/t12-,13-,14-,15-,16-,17-,18-,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-/m1/s1
C46H78N2O361235.103321100
4451021

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C46H78N2O36/c1-10(54)47-19-26(61)36(15(6-52)74-40(19)71)81-41-20(48-11(2)55)27(62)37(16(7-53)78-41)82-45-35(70)38(83-43-33(68)28(63)21(56)12(3-49)75-43)25(60)18(80-45)9-72-42-32(67)30(65)24(59)17(79-42)8-73-46-39(31(66)23(58)14(5-51)77-46)84-44-34(69)29(64)22(57)13(4-50)76-44/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,13-,14-,15-,16-,17-,18-,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+/m1/s1
C46H78N2O361235.103321100
71044238

33 of 35 defined stereocentres - 33/35 defined
InChI=1/C46H78N2O36/c1-10(54)47-19-26(61)36(15(6-52)74-40(19)71)81-41-20(48-11(2)55)27(62)37(16(7-53)78-41)82-46-35(70)39(84-45-33(68)30(65)23(58)14(5-51)77-45)25(60)18(80-46)9-73-43-34(69)38(83-44-32(67)29(64)22(57)13(4-50)76-44)24(59)17(79-43)8-72-42-31(66)28(63)21(56)12(3-49)75-42/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,13+,14+,15+,16+,17-,18-,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+/m1/s1
C46H78N2O361235.10331300
58801499

34 of 35 defined stereocentres - 34/35 defined
InChI=1/C46H78N2O36/c1-10(54)47-19-26(61)36(15(6-52)74-40(19)71)81-41-20(48-11(2)55)27(62)37(16(7-53)78-41)82-46-35(70)39(84-45-33(68)29(64)22(57)13(4-50)77-45)25(60)18(80-46)9-72-42-31(66)30(65)23(58)17(79-42)8-73-43-34(69)38(24(59)14(5-51)75-43)83-44-32(67)28(63)21(56)12(3-49)76-44/h12-46,49-53,56-71H,3-9H2,1-2H3,(H,47,54)(H,48,55)/t12-,13-,14-,15-,16-,17-,18-,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+/m1/s1
C46H78N2O361235.10331100

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