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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 41 results

Search term: C49H76O20 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
570984

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
C49H76O20985.11575564892
65480

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
C49H76O20985.1157333900
3742

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3
C49H76O20985.1157156300
4447631

22 of 26 defined stereocentres - 22/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27?,28+,29-,30+,31+,32?,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49?/m1/s1
C49H76O20985.11573999999810900
4642590

23 of 26 defined stereocentres - 23/26 defined
InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27+,28-,29?,30?,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
C49H76O20985.11578600
21106588

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27?,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
C49H76O20985.11577900
360616

0 of 26 defined stereocentres - 0/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3
C49H76O20985.11575400
8828892

24 of 24 defined stereocentres - 24/24 defined
InChI=1/C49H76O20/c1-22(2)14-23-16-47(7,60)40-24-8-9-29-45(5)12-11-30(44(3,4)28(45)10-13-46(29,6)48(24)20-49(40,69-23)63-21-48)66-43-39(68-41-36(58)34(56)27(65-41)19-61-32(54)15-31(52)53)38(25(51)18-62-43)67-42-37(59)35(57)33(55)26(17-50)64-42/h14,23-30,33-43,50-51,55-60H,8-13,15-21H2,1-7H3,(H,52,53)/t23-,24+,25-,26+,27-,28-,29+,30-,33+,34-,35-,36+,37+,38-,39+,40-,41-,42-,43-,45-,46+,47-,48-,49-/m0/s1
C49H76O20985.1157399999984300
17467177

18 of 26 defined stereocentres - 18/26 defined
InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26+,27+,28-,29-,30?,31+,32+,33+,34-,35-,37?,38?,39?,40-,41+,42-,43?,44?,45?,46?,47+,48+,49+/m1/s1
C49H76O20985.11574100
21781418

1 of 26 defined stereocentres - 1/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21?,22?,23?,26?,27?,28-,29?,30?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?/m0/s1
C49H76O20985.11573300
22938272

2 of 26 defined stereocentres - 2/26 defined
InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21?,22?,23?,26?,27?,28?,29-,30+,31?,32?,33?,34?,35?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?/m1/s1
C49H76O20985.11573200
58984434

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26+,27+,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
C49H76O20985.11573300
17466546

8 of 26 defined stereocentres - 8/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21?,22?,23?,26-,27+,28?,29-,30?,31?,32+,33?,34?,36?,37?,38?,39+,40?,41?,42?,43?,44?,45?,46?,47+,48-,49+/m1/s1
C49H76O20985.11573100
17486990

23 of 26 defined stereocentres - 23/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27+,28?,29?,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
C49H76O20985.11572100
8899984

23 of 23 defined stereocentres - 23/23 defined
InChI=1/C49H76O20/c1-44(2)26-11-14-48(6)27(46(26,4)13-12-28(44)66-39-35(58)36(24(51)21-64-39)67-41-34(57)31(54)32(55)37(68-41)38(59)62-7)10-9-22-23-19-45(3,42(60)63-8)15-17-49(23,18-16-47(22,48)5)43(61)69-40-33(56)30(53)29(52)25(20-50)65-40/h9,23-37,39-41,50-58H,10-21H2,1-8H3/t23-,24+,25+,26-,27+,28-,29+,30-,31-,32-,33+,34+,35-,36-,37-,39-,40-,41+,45-,46-,47+,48+,49-/m0/s1
C49H76O20985.11572100
140676

0 of 25 defined stereocentres - 0/25 defined
InChI=1/C49H76O20/c1-21-30(52)31(53)34(56)41(64-21)68-36-25(19-63-40(60)35(36)57)66-38-33(55)32(54)37(39(58)59)69-42(38)67-28-12-13-46(5)26(47(28,6)20-50)11-14-49(8)27(46)10-9-23-24-17-44(3,43(61)62)18-29(65-22(2)51)45(24,4)15-16-48(23,49)7/h9,21,24-38,40-42,50,52-57,60H,10-20H2,1-8H3,(H,58,59)(H,61,62)
C49H76O20985.11572200
4925502

9 of 26 defined stereocentres - 9/26 defined
InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21?,22?,23?,26?,27?,28?,29?,30?,31-,32-,33-,34?,35?,37?,38?,39?,40-,41+,42+,43-,44-,45-,46?,47?,48?,49?/m1/s1
C49H76O20985.11572200
8232352

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29?,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,47+,48+,49+/m1/s1
C49H76O20985.11572100
8504069

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C49H76O20/c1-21-43(67-36-16-31(53)44(22(2)62-36)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-37(61-21)68-45-23(3)63-38(17-33(45)64-24(4)51)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27+,28+,29?,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
C49H76O20985.11572100
8571617

24 of 26 defined stereocentres - 24/26 defined
InChI=1/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26?,27+,28+,29?,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,47+,48-,49+/m1/s1
C49H76O20985.11572100
123

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