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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 27 results

Search term: C45H74O19 (Found by molecular formula)
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9506972

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)62-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(60-41-38(56)35(53)32(50)27(15-46)61-41)13-29(48)44(21,5)24(23)9-10-43(25,30)4/h6,18-20,22-42,46-57H,7-17H2,1-5H3/t18-,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
C45H74O19919.05773200
9518495

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)62-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(60-41-38(56)35(53)32(50)27(15-46)61-41)13-29(48)44(21,5)24(23)9-10-43(25,30)4/h6,18-20,22-42,46-57H,7-17H2,1-5H3/t18-,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
C45H74O19919.05773200
21781429

4 of 28 defined stereocentres - 4/28 defined
InChI=1/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/t18?,19-,20-,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
C45H74O19919.05773300
24657641

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/t18-,19+,20-,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-/m1/s1
C45H74O19919.05772200
24664833

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-42-39(63-41-36(55)34(53)32(51)28(15-47)60-41)37(56)38(29(16-48)61-42)62-40-35(54)33(52)31(50)27(14-46)59-40/h18-42,46-56H,5-17H2,1-4H3/t18-,19+,20-,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-/m1/s1
C45H74O19919.05772200
10163290

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C45H74O19/c1-18-6-11-45(57-17-18)19(2)29-25(64-45)12-23-21-7-10-44(56)14-26(24(48)13-43(44,5)22(21)8-9-42(23,29)4)59-41-38(63-39-35(54)33(52)30(49)20(3)58-39)37(32(51)28(16-47)61-41)62-40-36(55)34(53)31(50)27(15-46)60-40/h18-41,46-56H,6-17H2,1-5H3/t18-,19+,20+,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-/m1/s1
C45H74O19919.05772100
153747

21 of 26 defined stereocentres - 21/26 defined
InChI=1/C45H74O19/c1-19(17-58-40-37(54)34(51)31(48)27(15-46)61-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)60-42-39(56)36(53)33(50)29(63-42)18-59-41-38(55)35(52)32(49)28(16-47)62-41/h20-42,46-57H,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
C45H74O19919.05772200
2343235

20 of 26 defined stereocentres - 20/26 defined
InChI=1/C45H74O19/c1-19(18-58-40-36(54)33(51)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-41-38(56)35(53)39(29(17-48)62-41)63-42-37(55)34(52)32(50)28(16-47)61-42/h5,19-20,22-42,46-57H,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
C45H74O19919.0576599999982200
4479470

26 of 28 defined stereocentres - 26/28 defined
InChI=1/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/t18?,19-,20-,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
C45H74O19919.05772200
4884911

20 of 26 defined stereocentres - 20/26 defined
InChI=1/C45H74O19/c1-18(17-58-41-38(56)35(53)32(50)28(14-46)61-41)5-8-25-19(2)31-27(59-25)12-23-21-7-6-20-11-26(24(49)13-45(20,4)22(21)9-10-44(23,31)3)60-43-40(37(55)34(52)30(16-48)63-43)64-42-39(57)36(54)33(51)29(15-47)62-42/h18,20-24,26-43,46-57H,5-17H2,1-4H3/t18?,20-,21?,22?,23?,24+,26-,27?,28-,29-,30-,31?,32-,33-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1
C45H74O19919.05772200
4885228

19 of 28 defined stereocentres - 19/28 defined
InChI=1/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/t18?,19?,20?,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-/m1/s1
C45H74O19919.05772200
8526269

23 of 28 defined stereocentres - 23/28 defined
InChI=1/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-25(64-45)12-24-22-6-5-20-11-21(8-9-43(20,3)23(22)13-29(49)44(24,30)4)58-40-36(55)33(52)38(27(15-47)60-40)63-42-37(56)34(53)39(28(16-48)61-42)62-41-35(54)32(51)31(50)26(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/t18-,19+,20+,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-/m1/s1
C45H74O19919.05772100
8593755

23 of 26 defined stereocentres - 23/26 defined
InChI=1/C45H74O19/c1-19-30-27(64-45(19,57-5)13-8-22(49)16-46)15-26-24-7-6-21-14-23(9-11-43(21,3)25(24)10-12-44(26,30)4)59-42-39(63-40-36(55)34(53)31(50)20(2)58-40)38(33(52)29(18-48)61-42)62-41-37(56)35(54)32(51)28(17-47)60-41/h6,19-20,22-42,46-56H,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
C45H74O19919.05772100
8593756

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C45H74O19/c1-18(17-58-41-38(56)35(53)32(50)28(14-46)61-41)5-8-25-19(2)31-27(59-25)12-23-21-7-6-20-11-26(24(49)13-45(20,4)22(21)9-10-44(23,31)3)60-43-40(37(55)34(52)30(16-48)63-43)64-42-39(57)36(54)33(51)29(15-47)62-42/h18,20-24,26-43,46-57H,5-17H2,1-4H3/t18-,20-,21-,22+,23+,24+,26-,27?,28-,29-,30-,31?,32-,33+,34-,35+,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1
C45H74O19919.05772100
9300977

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C45H74O19/c1-18(2)6-9-25(49)19(3)31-26(60-42-39(57)36(54)33(51)28(16-47)62-42)14-24-22-8-7-20-12-21(48)13-30(45(20,5)23(22)10-11-44(24,31)4)64-43-40(58)37(55)34(52)29(63-43)17-59-41-38(56)35(53)32(50)27(15-46)61-41/h6-7,19,21-43,46-58H,8-17H2,1-5H3/t19-,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+/m1/s1
C45H74O19919.05772100
28509132

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C45H74O19/c1-18-9-12-45(57-17-18)19(2)30-27(64-45)14-26(44(30,6)56)24-8-7-22-13-23(10-11-43(22,5)25(24)15-29(47)48)60-42-39(63-41-36(54)34(52)32(50)21(4)59-41)37(55)38(28(16-46)61-42)62-40-35(53)33(51)31(49)20(3)58-40/h18-28,30-42,46,49-56H,7-17H2,1-6H3,(H,47,48)/t18-,19+,20+,21+,22+,23+,24-,25+,26+,27+,28-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1
C45H74O19919.05772200
29408379

26 of 27 defined stereocentres - 26/27 defined
InChI=1/C45H74O19/c1-18(17-58-42-39(36(54)33(51)28(16-47)61-42)63-40-37(55)34(52)31(49)20(3)59-40)8-11-45(57)19(2)30-26(64-45)14-25-23-7-6-21-12-22(48)13-29(44(21,5)24(23)9-10-43(25,30)4)62-41-38(56)35(53)32(50)27(15-46)60-41/h6,18-20,22-42,46-57H,7-17H2,1-5H3/t18-,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
C45H74O19919.05772200
128439448

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C45H74O19/c1-18-7-10-45(57-17-18)19(2)30-26(64-45)12-23-21-6-5-20-11-25(24(49)13-44(20,4)22(21)8-9-43(23,30)3)58-41-37(56)38(33(52)29(16-48)60-41)62-42-39(35(54)32(51)28(15-47)61-42)63-40-36(55)34(53)31(50)27(14-46)59-40/h18-42,46-56H,5-17H2,1-4H3/t18-,19+,20+,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-/m1/s1
C45H74O19919.05772200
17263275

28 of 28 defined stereocentres - 28/28 defined
InChI=1/C45H74O19/c1-18-5-10-45(57-17-18)19(2)30-26(64-45)13-23-21-12-25(49)24-11-20(6-8-43(24,3)22(21)7-9-44(23,30)4)58-40-37(56)35(54)38(29(16-48)61-40)62-42-39(34(53)32(51)28(15-47)60-42)63-41-36(55)33(52)31(50)27(14-46)59-41/h18-42,46-56H,5-17H2,1-4H3/t18-,19+,20+,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-/m1/s1
C45H74O19919.05771100
28284301

18 of 26 defined stereocentres - 18/26 defined
InChI=1/C45H74O19/c1-19(18-58-40-37(55)34(52)31(49)27(15-46)60-40)7-12-45(57)20(2)30-26(64-45)14-25-23-6-5-21-13-22(8-10-43(21,3)24(23)9-11-44(25,30)4)59-42-39(36(54)33(51)29(17-48)62-42)63-41-38(56)35(53)32(50)28(16-47)61-41/h20-42,46-57H,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-,45u/m0/s1
C45H74O19919.05771100
12

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