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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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Found 38 results

Search term: C40H36O12 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
23267362

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39-,40-/m1/s1
C40H36O12708.7066242300
24534163

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3
C40H36O12708.7066202400
390896

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39?,40?/m1/s1
C40H36O12708.7066191500
390897

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26-,33-,39?,40?/m1/s1
C40H36O12708.7066181400
8162918

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26-,33-,39?,40?/m0/s1
C40H36O12708.7066111100
4478959

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39?,40?/m1/s1
C40H36O12708.706691000
8615192

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39?,40?/m0/s1
C40H36O12708.70666400
57256777

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H36O12/c1-18(2)8-9-39-28-7-5-22(42)16-31(28)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)27-11-19(3)10-26(25-6-4-21(41)15-29(25)45)33(27)36(47)20-12-23(43)14-24(44)13-20/h4-8,11-17,26-27,33,41-46,48,50H,9-10H2,1-3H3/t26-,27-,33-,39-,40-/m1/s1
C40H36O12708.70666500
57256784

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H36O12/c1-18(2)8-9-39-28-7-5-22(42)16-31(28)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)27-11-19(3)10-26(25-6-4-21(41)15-29(25)45)33(27)36(47)20-12-23(43)14-24(44)13-20/h4-8,11-17,26-27,33,41-46,48,50H,9-10H2,1-3H3/t26-,27+,33-,39-,40-/m1/s1
C40H36O12708.70666500
240636
InChI=1/2C20H18O6/c1-24-16-10-15(25-12-13-5-3-2-4-6-13)11-17-20(16)14(7-8-18(21)22)9-19(23)26-17;1-24-15-10-16(25-12-13-5-3-2-4-6-13)20-14(7-8-18(21)22)9-19(23)26-17(20)11-15/h2*2-6,9-11H,7-8,12H2,1H3,(H,21,22)
C40H36O12708.7066399999994400
553027

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-32(27)51-40(39,50)38(49)35-31(47)17-30(46)34(37(35)52-39)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(48)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-47,50H,11-12H2,1-3H3/t25-,26+,33-,39+,40+/m1/s1
C40H36O12708.70664300
2759247

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3
C40H36O12708.7066399999993100
4478960

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26-,33-,39?,40?/m1/s1
C40H36O12708.70663300
23327615

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33-,39+,40+/m1/s1
C40H36O12708.70663200
26403378

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25?,26-,33+,39?,40?/m0/s1
C40H36O12708.70663200
82966093

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H36O12/c1-18(2)8-9-39-28-7-5-22(42)16-31(28)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)27-11-19(3)10-26(25-6-4-21(41)15-29(25)45)33(27)36(47)20-12-23(43)14-24(44)13-20/h4-8,11-17,26-27,33,41-46,48,50H,9-10H2,1-3H3/t26-,27-,33-,39-,40-/m0/s1
C40H36O12708.70662100
114642364

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-31(27)52-40(39,50)38(49)35-32(51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25-,26+,33+,39?,40?/m1/s1
C40H36O12708.70662200
4478961

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-38(49)35-32(52-40(39,50)27-9-6-22(43)16-31(27)51-39)17-30(46)34(37(35)48)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(47)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-46,48,50H,11-12H2,1-3H3/t25?,26?,33-,39?,40?/m0/s1
C40H36O12708.70662200
8208292

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C40H36O12/c1-18(2)10-11-39-27-9-6-22(43)16-32(27)51-40(39,50)38(49)35-31(47)17-30(46)34(37(35)52-39)26-13-19(3)12-25(23-7-4-20(41)14-28(23)44)33(26)36(48)24-8-5-21(42)15-29(24)45/h4-10,13-17,25-26,33,41-47,50H,11-12H2,1-3H3/t25-,26-,33-,39+,40+/m1/s1
C40H36O12708.70662100
431789

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C40H36O12/c1-24(41)45-23-34-37(48-25(2)42)39(49-26(3)43)40(52-34)51-33-20-32-35(30(44)19-31(50-32)29-17-11-6-12-18-29)38(47-22-28-15-9-5-10-16-28)36(33)46-21-27-13-7-4-8-14-27/h4-20,34,37,39-40H,21-23H2,1-3H3/t34-,37-,39+,40+/m1/s1
C40H36O12708.70662200
12

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