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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 43 results

Search term: C36H54O12 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10191803

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-12,18-22,25-28,30,37-38,41-43,45-46H,10,13-16H2,1-8H3/b12-11+/t18-,19-,20+,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
C36H54O12678.8068131100
57620810

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C36H54O12/c1-31(2)10-11-35(29(43)44)18(12-31)17-6-7-21-32(3)13-19-27(48-28-26(42)25(41)24(40)20(15-37)46-28)36(16-38,30(45)47-19)22(32)8-9-33(21,4)34(17,5)14-23(35)39/h6,18-28,37-42H,7-16H2,1-5H3,(H,43,44)/t18-,19-,20+,21+,22+,23+,24+,25-,26+,27-,28-,32+,33+,34+,35+,36+/m0/s1
C36H54O12678.8068121000
17466812

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22?,25-,26+,27-,28+,30-,33+,34-,35+,36?/m1/s1
C36H54O12678.80687300
114928674

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18?,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
C36H54O12678.80685500
23264945

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
C36H54O12678.80685531
24687675

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36-/m1/s1
C36H54O12678.80685500
4947665

Double-bond stereo

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C36H54O12/c1-17-18-9-10-23-33(4)14-20(38)30(36(7,45)24(39)11-12-32(2,3)46-8)34(33,5)15-25(40)35(23,6)19(18)13-21(26(17)41)47-31-29(44)28(43)27(42)22(16-37)48-31/h11-13,20,22-24,27-31,37-39,41-45H,9-10,14-16H2,1-8H3/b12-11+/t20-,22-,23+,24?,27-,28+,29-,30+,31-,33?,34-,35+,36+/m1/s1
C36H54O12678.80685400
8434493

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14+/t19-,20+,21-,22-,24-,25-,26-,27+,28-,29+,32-,34-,35+,36+/m1/s1
C36H54O12678.80685400
4978744

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14+
C36H54O12678.80683300
279612

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C36H54O12/c1-13-19(7)31(37)43-25-26(44-32(38)20(8)14-2)28(46-34(40)22(10)16-4)30(48-36(42)24(12)18-6)29(47-35(41)23(11)17-5)27(25)45-33(39)21(9)15-3/h19-24H,13-18H2,1-12H3
C36H54O12678.80683200
26349983

Double-bond stereo

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C36H54O12/c1-9-13-14-15-16-19-25(38)45-30-28-27(22(6)29(30)46-32(40)21(5)12-4)31-36(43,35(8,42)33(41)47-31)23(44-24(37)17-10-2)20-34(28,7)48-26(39)18-11-3/h12,23,28-31,42-43H,9-11,13-20H2,1-8H3/b21-12-/t23-,28+,29-,30-,31-,34-,35+,36+/m0/s1
C36H54O12678.80683300
22913529

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C36H54O12/c1-10-34(7,43)19-13-17-24(5)31(41)46-28-26(22-37)45-33(48-36(9,12-3)21-15-16-23(4)30(39)40)27(38)29(28)47-32(42)25(6)18-14-20-35(8,44)11-2/h10-12,16-18,26-29,33,37-38,43-44H,1-3,13-15,19-22H2,4-9H3,(H,39,40)/b23-16+,24-17+,25-18+/t26-,27-,28-,29-,33+,34?,35?,36?/m1/s1
C36H54O12678.80683100
22913530

Double-bond stereo

5 of 8 defined stereocentres - 5/8 defined
InChI=1/C36H54O12/c1-10-34(7,43)19-13-17-24(5)31(41)45-22-26-27(37)29(47-32(42)25(6)18-14-20-35(8,44)11-2)28(38)33(46-26)48-36(9,12-3)21-15-16-23(4)30(39)40/h10-12,16-18,26-29,33,37-38,43-44H,1-3,13-15,19-22H2,4-9H3,(H,39,40)/b23-16+,24-17+,25-18+/t26-,27-,28-,29+,33+,34?,35?,36?/m1/s1
C36H54O12678.80683100
8946127

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C36H54O12/c1-17-13-27(48-31(42)18(17)2)35(6,43)25-10-12-36(44)23-8-7-20-14-21(46-32-30(41)29(40)28(39)24(16-37)47-32)15-26(45-19(3)38)34(20,5)22(23)9-11-33(25,36)4/h7,21-30,32,37,39-41,43-44H,8-16H2,1-6H3/t21-,22+,23-,24-,25+,26+,27-,28-,29+,30-,32-,33-,34+,35-,36-/m1/s1
C36H54O12678.80683200
433832

Double-bond stereo

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3
C36H54O12678.80682100
3052797

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10-12,14-16H2,1-8H3
C36H54O12678.8067599999982100
4057446

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C36H54O12/c1-32(2,46)12-8-9-19(38)26(41)25-20(39)14-34(5)23-11-10-17-18(36(23,7)24(40)15-35(25,34)6)13-21(30(45)33(17,3)4)47-31-29(44)28(43)27(42)22(16-37)48-31/h10,13,18,20,22-23,25-29,31,37,39,41-44,46H,8-9,11-12,14-16H2,1-7H3
C36H54O12678.8067599999982100
4884856

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-23,25-28,30,37-39,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,23+,25-,26-,27-,28+,30-,33+,34-,35+,36+/m1/s1
C36H54O12678.80682200
4884857

Double-bond stereo

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-23,25-28,30,37-39,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,23-,25-,26-,27-,28+,30-,33+,34-,35+,36+/m1/s1
C36H54O12678.80682200
8803668

11 of 12 defined stereocentres - 11/12 defined
InChI=1/C36H54O12/c1-12-18(5)31(41)47-29-26-27(46-24(39)13-2)19(6)15-36(26,43)32(42)34(11,48-21(8)38)28-25-22(33(25,9)10)14-23(45-20(7)37)35(28,29)16-44-30(40)17(3)4/h17-19,22-23,25-29,43H,12-16H2,1-11H3/t18?,19-,22-,23+,25-,26+,27-,28-,29+,34-,35+,36+/m0/s1
C36H54O12678.80682100
123

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