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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 12 results

Search term: C38H65NO31 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
44205611

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C38H65NO31/c1-8(44)39-15-31(69-36-26(55)22(51)17(46)10(3-41)64-36)30(12(5-43)62-33(15)59)68-38-28(57)24(53)19(48)13(67-38)6-61-35-29(58)32(70-37-27(56)23(52)18(47)11(4-42)65-37)20(49)14(66-35)7-60-34-25(54)21(50)16(45)9(2-40)63-34/h9-38,40-43,45-59H,2-7H2,1H3,(H,39,44)/t9-,10-,11-,12-,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+/m1/s1
C38H65NO311031.91086500
24606108

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C38H65NO31/c1-8(44)39-15-21(50)30(12(5-43)62-33(15)59)68-38-29(58)32(70-37-27(56)24(53)18(47)11(4-42)65-37)20(49)14(67-38)7-61-35-28(57)31(69-36-26(55)23(52)17(46)10(3-41)64-36)19(48)13(66-35)6-60-34-25(54)22(51)16(45)9(2-40)63-34/h9-38,40-43,45-59H,2-7H2,1H3,(H,39,44)/t9-,10-,11-,12-,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+/m1/s1
C38H65NO311031.910841000
44750372

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C38H65NO31/c1-8(44)39-15-31(69-36-27(56)22(51)17(46)10(3-41)64-36)30(12(5-43)62-33(15)59)68-38-29(58)32(70-37-28(57)23(52)18(47)11(4-42)65-37)20(49)14(67-38)7-61-35-26(55)24(53)19(48)13(66-35)6-60-34-25(54)21(50)16(45)9(2-40)63-34/h9-38,40-43,45-59H,2-7H2,1H3,(H,39,44)/t9-,10-,11-,12-,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+/m1/s1
C38H65NO311031.91082100
26332416

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C38H65NO31/c1-8(45)39-15-19(49)31(69-37-26(56)21(51)17(47)10(3-41)63-37)14(7-60-35-27(57)23(53)30(13(6-44)65-35)67-36-25(55)20(50)16(46)9(2-40)62-36)66-34(15)70-32-18(48)11(4-42)64-38(28(32)58)68-29-12(5-43)61-33(59)24(54)22(29)52/h9-38,40-44,46-59H,2-7H2,1H3,(H,39,45)/t9-,10-,11-,12-,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+/m1/s1
C38H65NO311031.91082300
27445381

29 of 30 defined stereocentres - 29/30 defined
InChI=1/C38H65NO31/c1-8(44)39-15-21(50)30(12(5-43)62-33(15)59)68-38-29(58)32(70-37-27(56)24(53)18(47)11(4-42)65-37)20(49)14(67-38)7-61-35-28(57)31(69-36-26(55)23(52)17(46)10(3-41)64-36)19(48)13(66-35)6-60-34-25(54)22(51)16(45)9(2-40)63-34/h9-38,40-43,45-59H,2-7H2,1H3,(H,39,44)/t9-,10-,11-,12-,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+/m1/s1
C38H65NO311031.91082100
67175398

30 of 31 defined stereocentres - 30/31 defined
InChI=1/C38H65NO31/c1-8(46)39-70-32-25(57)38-63-14(7-45)31(32)69-37-24(56)19(51)29(12(5-43)62-37)67-35-22(54)17(49)27(10(3-41)60-35)65-33-20(52)15(47)26(9(2-40)58-33)64-34-21(53)16(48)28(11(4-42)59-34)66-36-23(55)18(50)30(68-38)13(6-44)61-36/h8-57H,2-7H2,1H3/t8?,9-,10-,11-,12-,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-/m1/s1
C38H65NO311031.91081100
24606109

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C38H65NO31/c1-8(44)39-15-21(50)30(12(5-43)62-33(15)59)68-37-29(58)31(69-35-27(56)22(51)16(45)9(2-40)63-35)20(49)14(67-37)7-60-34-26(55)24(53)19(48)13(66-34)6-61-38-32(25(54)18(47)11(4-42)65-38)70-36-28(57)23(52)17(46)10(3-41)64-36/h9-38,40-43,45-59H,2-7H2,1H3,(H,39,44)/t9-,10-,11-,12-,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+/m1/s1
C38H65NO311031.91081600
24606110

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C38H65NO31/c1-8(44)39-15-21(50)30(12(5-43)62-33(15)59)68-37-29(58)31(69-38-32(25(54)18(47)11(4-42)65-38)70-36-28(57)23(52)17(46)10(3-41)64-36)20(49)14(67-37)7-61-35-27(56)24(53)19(48)13(66-35)6-60-34-26(55)22(51)16(45)9(2-40)63-34/h9-38,40-43,45-59H,2-7H2,1H3,(H,39,44)/t9-,10-,11-,12-,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-/m1/s1
C38H65NO311031.91081600
24606105

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C38H65NO31/c1-8(45)39-15-21(51)29(13(6-44)61-33(15)59)67-37-28(58)31(68-35-25(55)22(52)16(46)9(2-40)63-35)20(50)14(66-37)7-60-34-27(57)30(19(49)12(5-43)62-34)69-38-32(24(54)18(48)11(4-42)65-38)70-36-26(56)23(53)17(47)10(3-41)64-36/h9-38,40-44,46-59H,2-7H2,1H3,(H,39,45)/t9-,10-,11-,12-,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-/m1/s1
C38H65NO311031.91081300
24606106

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C38H65NO31/c1-8(45)39-15-21(51)29(13(6-44)61-33(15)59)67-36-28(58)30(20(50)14(66-36)7-60-34-26(56)22(52)16(46)9(2-40)62-34)68-37-32(25(55)19(49)11(4-42)64-37)70-38-31(24(54)18(48)12(5-43)65-38)69-35-27(57)23(53)17(47)10(3-41)63-35/h9-38,40-44,46-59H,2-7H2,1H3,(H,39,45)/t9-,10-,11-,12-,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-/m1/s1
C38H65NO311031.91081600
24606107

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C38H65NO31/c1-8(45)39-15-21(51)29(13(6-44)61-33(15)59)67-37-28(58)31(69-38-32(24(54)18(48)11(4-42)65-38)70-36-26(56)23(53)17(47)10(3-41)64-36)20(50)14(66-37)7-60-34-27(57)30(19(49)12(5-43)62-34)68-35-25(55)22(52)16(46)9(2-40)63-35/h9-38,40-44,46-59H,2-7H2,1H3,(H,39,45)/t9-,10-,11-,12-,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-/m1/s1
C38H65NO311031.91081300

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