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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 51 results

Search term: C45H72O18 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
22913186

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C45H72O18/c1-19-29-26(62-45(19)13-12-42(3,18-48)63-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)57-41-38(61-40-35(54)33(52)31(50)27(16-46)58-40)36(55)37(28(17-47)59-41)60-39-34(53)32(51)30(49)20(2)56-39/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24?,25?,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44-,45-/m0/s1
C45H72O18901.04249600
8685368

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h20-42,46-55H,1,5-18H2,2-4H3/t20-,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+/m0/s1
C45H72O18901.04245400
9106213

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C45H72O18/c1-20(2)7-10-28(48)21(3)45(56)32(62-42-39(59-22(4)47)38(30(50)19-58-42)63-40-36(54)33(51)29(49)18-57-40)16-27-25-9-8-23-15-24(11-13-43(23,5)26(25)12-14-44(27,45)6)60-41-37(55)35(53)34(52)31(17-46)61-41/h8,20-21,24-27,29-42,46,49-56H,7,9-19H2,1-6H3/t21-,24+,25-,26+,27+,29-,30+,31-,32+,33+,34-,35+,36-,37-,38+,39-,40+,41-,42+,43+,44+,45-/m1/s1
C45H72O18901.04245400
114928680

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-42-39(62-41-37(55)35(53)32(50)28(16-47)59-41)38(33(51)29(17-48)60-42)61-40-36(54)34(52)31(49)27(15-46)58-40/h20-42,46-55H,1,5-18H2,2-4H3/t20-,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+/m0/s1
C45H72O18901.04245500
9449538

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H72O18/c1-19-30-27(63-45(19)12-7-21(18-57-45)17-56-40-36(53)34(51)32(49)28(15-46)60-40)14-26-24-6-5-22-13-23(8-10-43(22,3)25(24)9-11-44(26,30)4)59-42-38(55)35(52)39(29(16-47)61-42)62-41-37(54)33(50)31(48)20(2)58-41/h5,19-21,23-42,46-55H,6-18H2,1-4H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,38+,39+,40+,41-,42+,43-,44-,45+/m0/s1
C45H72O18901.04244300
9775203

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h5,19-20,22-42,46-55H,6-18H2,1-4H3/t19?,20-,22-,23+,24-,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,44-,45+/m0/s1
C45H72O18901.04244300
8709132

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C45H72O18/c1-17-16-56-45(14-27(17)59-41-38(55)35(52)33(50)28(15-46)60-41)18(2)30-26(63-45)13-25-23-8-7-21-11-22(47)12-29(44(21,6)24(23)9-10-43(25,30)5)61-42-39(36(53)32(49)20(4)58-42)62-40-37(54)34(51)31(48)19(3)57-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43+,44+,45-/m1/s1
C45H72O18901.04243200
29367952

22 of 22 defined stereocentres - 22/22 defined
InChI=1/C45H72O18/c1-20(2)7-10-28(48)21(3)45(56)32(62-42-39(59-22(4)47)38(30(50)19-58-42)63-40-36(54)33(51)29(49)18-57-40)16-27-25-9-8-23-15-24(11-13-43(23,5)26(25)12-14-44(27,45)6)60-41-37(55)35(53)34(52)31(17-46)61-41/h8,20-21,24-27,29-42,46,49-56H,7,9-19H2,1-6H3/t21-,24-,25+,26-,27-,29+,30-,31+,32-,33-,34+,35-,36+,37+,38-,39+,40-,41+,42-,43-,44-,45+/m0/s1
C45H72O18901.04243400
30785737

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H72O18/c1-19-29-26(62-45(19)13-12-42(3,18-48)63-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)57-41-38(61-39-34(53)32(51)30(49)20(2)56-39)36(55)37(28(17-47)59-41)60-40-35(54)33(52)31(50)27(16-46)58-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44-,45-/m0/s1
C45H72O18901.04243400
354002

11 of 26 defined stereocentres - 11/26 defined
InChI=1/C45H72O18/c1-19-30-27(63-45(19)12-7-21(15-46)18-56-45)14-26-24-6-5-22-13-23(8-10-43(22,3)25(24)9-11-44(26,30)4)58-42-39(62-40-36(54)34(52)31(49)20(2)57-40)38(33(51)29(17-48)60-42)61-41-37(55)35(53)32(50)28(16-47)59-41/h5,19-21,23-42,46-55H,6-18H2,1-4H3/t19-,20?,21-,23-,24+,25-,26-,27-,28?,29?,30-,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43-,44-,45+/m0/s1
C45H72O18901.04243200
2340519

27 of 28 defined stereocentres - 27/28 defined
InChI=1/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-36(54)34(52)31(49)20(4)57-41)37(32(50)27(16-46)59-42)60-40-35(53)33(51)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,40+,41+,42+,43+,44+,45?/m1/s1
C45H72O18901.0423799999982200
4884732

19 of 24 defined stereocentres - 19/24 defined
InChI=1/C45H72O18/c1-19(18-58-41-38(56)36(54)33(51)29(16-46)61-41)6-9-27(48)20(2)31-28(49)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)60-43-40(37(55)34(52)30(17-47)62-43)63-42-39(57)35(53)32(50)21(3)59-42/h7,19-21,23-26,29-43,46-47,50-57H,6,8-18H2,1-5H3/t19?,20-,21-,23+,24?,25?,26?,29-,30-,31?,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1
C45H72O18901.04242200
8051848

15 of 24 defined stereocentres - 15/24 defined
InChI=1/C45H72O18/c1-19(18-57-41-37(55)34(52)39(62-41)26(49)15-46)5-8-27-20(2)31-28(59-27)14-25-23-7-6-21-13-22(9-11-44(21,3)24(23)10-12-45(25,31)4)58-42-38(56)35(53)40(63-42)30(17-48)61-43-36(54)33(51)32(50)29(16-47)60-43/h6,19,22-26,28-43,46-56H,5,7-18H2,1-4H3/t19-,22+,23?,24?,25?,26?,28?,29-,30?,31?,32-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44?,45?/m1/s1
C45H72O18901.04242100
8435625

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C45H72O18/c1-17-16-56-45(14-27(17)59-41-38(55)35(52)33(50)28(15-46)60-41)18(2)30-26(63-45)13-25-23-8-7-21-11-22(47)12-29(44(21,6)24(23)9-10-43(25,30)5)61-42-39(36(53)32(49)20(4)58-42)62-40-37(54)34(51)31(48)19(3)57-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20-,22-,23-,24+,25+,26?,27+,28+,29-,30?,31+,32+,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43+,44+,45-/m1/s1
C45H72O18901.04242100
8526216

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C45H72O18/c1-19-8-13-44(56-18-19)21(3)45(55)29(63-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,45)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-21,23-41,46-55H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29?,30+,31+,32-,33-,34+,35-,36-,37+,38-,39+,40+,41-,42+,43+,44-,45-/m1/s1
C45H72O18901.04242100
8571406

22 of 26 defined stereocentres - 22/26 defined
InChI=1/C45H72O18/c1-19-30-27(63-45(19)12-7-21(15-46)18-56-45)14-26-24-6-5-22-13-23(8-10-43(22,3)25(24)9-11-44(26,30)4)58-42-39(62-40-36(54)34(52)31(49)20(2)57-40)38(33(51)29(17-48)60-42)61-41-37(55)35(53)32(50)28(16-47)59-41/h5,19-21,23-42,46-55H,6-18H2,1-4H3/t19-,20-,21-,23-,24?,25?,26?,27?,28+,29+,30-,31-,32+,33+,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45+/m0/s1
C45H72O18901.04242100
8616191

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-41-35(53)33(51)38(29(17-48)60-41)62-42-36(54)39(31(49)27(15-46)59-42)61-37-28(16-47)58-40(55)34(52)32(37)50/h5,19-20,22-42,46-55H,6-18H2,1-4H3/t19-,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32-,33-,34-,35-,36-,37-,38+,39+,40-,41-,42+,43+,44+,45-/m1/s1
C45H72O18901.04242100
8616192

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H72O18/c1-19-8-13-44(56-18-19)21(3)45(55)29(63-44)15-26-24-7-6-22-14-23(9-11-42(22,4)25(24)10-12-43(26,45)5)58-41-38(62-39-34(52)32(50)30(48)20(2)57-39)36(54)37(28(17-47)60-41)61-40-35(53)33(51)31(49)27(16-46)59-40/h6,19-21,23-41,46-55H,7-18H2,1-5H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44-,45-/m1/s1
C45H72O18901.04242100
8638869

21 of 26 defined stereocentres - 21/26 defined
InChI=1/C45H72O18/c1-19-7-12-45(56-18-19)20(2)30-26(63-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)57-40-37(55)35(53)38(29(17-48)60-40)61-42-39(34(52)32(50)28(16-47)59-42)62-41-36(54)33(51)31(49)27(15-46)58-41/h5,19-20,22-42,46-55H,6-18H2,1-4H3/t19-,20+,22+,23?,24?,25?,26?,27+,28+,29-,30?,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44+,45-/m1/s1
C45H72O18901.04242100
25047912

0 of 27 defined stereocentres - 0/27 defined
InChI=1/C45H72O18/c1-18-17-56-44(15-27(18)47)21(4)45(55)29(63-44)14-26-24-8-7-22-13-23(9-11-42(22,5)25(24)10-12-43(26,45)6)59-41-38(62-40-36(54)34(52)31(49)20(3)58-40)37(32(50)28(16-46)60-41)61-39-35(53)33(51)30(48)19(2)57-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19-,20-,21+,23-,24+,25-,26-,27+,28+,29-,30-,31-,32+,33+,34+,35+,36+,37-,38+,39-,40-,41+,42-,43-,44-,45+/m0/s1
C45H72O18901.04242200
123

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