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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
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Isotopically Labeled
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Found 13 results

Search term: C39H36O9 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3299811
InChI=1/C39H36O9/c1-28-22-38(24-45-33(40)29-14-6-2-7-15-29,25-46-34(41)30-16-8-3-9-17-30)37(44)39(23-28,26-47-35(42)31-18-10-4-11-19-31)27-48-36(43)32-20-12-5-13-21-32/h2-21,28H,22-27H2,1H3
C39H36O9648.697712700
384495

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3
C39H36O9648.697771000
24712575

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36+/m0/s1
C39H36O9648.69775600
10219089

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H36O9/c1-19(2)4-8-26-30(42)11-10-27(38(26)46)39(47)36-28(25-9-7-23(40)17-31(25)43)12-20(3)13-29(36)37-32(44)14-22(15-33(37)45)34-16-21-5-6-24(41)18-35(21)48-34/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1
C39H36O9648.6977441217
4572716

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H36O9/c1-19(2)4-8-27-30(42)11-10-28(38(27)46)39(47)29-13-23(12-20(3)36(29)26-9-7-24(40)17-31(26)43)37-32(44)14-22(15-33(37)45)34-16-21-5-6-25(41)18-35(21)48-34/h4-7,9-12,14-18,23,29,36,40-46H,8,13H2,1-3H3/t23-,29-,36+/m1/s1
C39H36O9648.69773300
9483221
InChI=1/C39H36O9/c1-17-14-24(42-4)27-21(35(17)45-7)11-10-20(33(27)40)30-34(41)31-26(44-6)16-19(3)37(47-9)32(31)29-23-13-12-22-28(38(23)48-39(29)30)25(43-5)15-18(2)36(22)46-8/h10-16,40-41H,1-9H3
C39H36O9648.69773200
9506167

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H36O9/c1-19(2)4-6-27-32(43)9-8-28(38(27)46)39(47)37-30(26-7-5-23(40)17-33(26)44)10-20(3)11-31(37)29-14-22-15-35(48-36(22)18-34(29)45)21-12-24(41)16-25(42)13-21/h4-5,7-9,11-18,30-31,37,40-46H,6,10H2,1-3H3/t30-,31+,37-/m1/s1
C39H36O9648.69772100
128434810

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H36O9/c1-19(2)4-7-26-32(43)11-10-27(38(26)46)39(47)37-30(24-8-5-21(40)15-33(24)44)12-20(3)13-31(37)28-14-23(42)17-35-29(28)18-36(48-35)25-9-6-22(41)16-34(25)45/h4-6,8-11,13-18,30-31,37,40-46H,7,12H2,1-3H3/t30-,31-,37-/m1/s1
C39H36O9648.69772200
57440410

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3
C39H36O9648.69771100
73973645

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m1/s1
C39H36O9648.69771100
75567246

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C39H36O9/c1-19(2)4-8-25-29(42)11-10-26(37(25)45)38(46)35-27(24-9-7-22(40)15-30(24)43)17-39(3)18-28(35)36-31(44)12-21(14-34(36)48-39)32-13-20-5-6-23(41)16-33(20)47-32/h4-7,9-16,27-28,35,40-45H,8,17-18H2,1-3H3/t27-,28+,35-,39+/m1/s1
C39H36O9648.69771100
95602085

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C39H36O9/c1-19(2)4-8-27-30(42)11-5-21-16-35(48-39(21)27)22-14-33(45)37(34(46)15-22)29-13-20(3)12-28(25-9-6-23(40)17-31(25)43)36(29)38(47)26-10-7-24(41)18-32(26)44/h4-7,9-11,13-18,28-29,36,40-46H,8,12H2,1-3H3/t28-,29+,36-/m0/s1
C39H36O9648.69771100
95617511

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C39H36O9/c1-19(2)4-8-27-30(42)11-10-28(38(27)46)39(47)29-13-23(12-20(3)36(29)26-9-7-24(40)17-31(26)43)37-32(44)14-22(15-33(37)45)34-16-21-5-6-25(41)18-35(21)48-34/h4-7,9-12,14-18,23,36,40-47H,8,13H2,1-3H3
C39H36O9648.69771100

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