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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 89 results

Search term: C42H68O14 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8254577

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H68O14/c1-37(2)14-15-42(36(52)56-35-33(51)31(49)29(47)23(19-44)54-35)21(16-37)20-8-9-25-39(5)12-11-27(55-34-32(50)30(48)28(46)22(18-43)53-34)38(3,4)24(39)10-13-40(25,6)41(20,7)17-26(42)45/h8,21-35,43-51H,9-19H2,1-7H3/t21-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,39-,40+,41+,42+/m0/s1
C42H68O14796.9809212000
10245008

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40+,41+,42+/m0/s1
C42H68O14796.9809156000
10123939

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H68O14/c1-20(2)14-21-15-40(7,50)34-22-8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,6)41(22)18-42(34,56-21)51-19-41)54-36-32(49)33(29(46)24(17-44)53-36)55-35-31(48)30(47)28(45)23(16-43)52-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22+,23+,24+,25-,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,36-,38-,39+,40-,41-,42-/m0/s1
C42H68O14796.980910900
141403

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H68O14/c1-37(2)20-9-11-25-39(5)15-13-24(41(7)16-14-28(55-41)38(3,4)56-36-34(51)32(49)30(47)23(19-44)53-36)40(39,6)17-26(45)42(25,8)21(20)10-12-27(37)54-35-33(50)31(48)29(46)22(18-43)52-35/h9,21-25,27-36,43-44,46-51H,10-19H2,1-8H3/t21-,22-,23-,24+,25+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41+,42+/m1/s1
C42H68O14796.980991100
29814912

17 of 19 defined stereocentres - 17/19 defined
InChI=1/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-33(31(49)29(47)24(19-44)54-35)56-34-32(50)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25?,26?,27-,28+,29+,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H68O14796.98096400
84451602

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24+,25-,26+,27-,28-,29-,30-,31+,32-,33+,35-,36+,38+,39-,40-,41+,42+/m0/s1
C42H68O14796.98096500
28484227

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H68O14/c1-37(2)13-15-42(36(52)56-35-33(51)31(49)29(47)24(55-35)19-53-34-32(50)30(48)28(46)23(18-43)54-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-44)25(38)9-12-41(26,40)6/h7,22-35,43-51H,8-20H2,1-6H3/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1
C42H68O14796.98095600
30786456

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H68O14/c1-19-20(18-53-36-33(50)31(48)29(46)24(16-43)55-36)23(54-37-34(51)32(49)30(47)25(17-44)56-37)15-39(4)12-13-41(6)21(28(19)39)8-9-27-40(5)14-22(45)35(52)38(2,3)26(40)10-11-42(27,41)7/h8-9,19-20,22-26,28-37,43-52H,10-18H2,1-7H3/t19-,20-,22+,23-,24+,25+,26-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37+,39-,40-,41+,42+/m0/s1
C42H68O14796.98094500
35015055

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C42H68O14/c1-19(2)10-13-26-42(9)27(34(49)54-26)21-11-12-24-39(6)16-15-25(38(4,5)23(39)14-17-40(24,7)41(21,8)37(50)56-42)55-36-33(48)31(46)29(44)22(53-36)18-51-35-32(47)30(45)28(43)20(3)52-35/h10,20-33,35-37,43-48,50H,11-18H2,1-9H3/t20-,21+,22+,23?,24?,25-,26+,27+,28-,29+,30+,31-,32+,33+,35+,36-,37-,39-,40+,41-,42-/m0/s1
C42H68O14796.98094400
434842

0 of 21 defined stereocentres - 0/21 defined
InChI=1/C42H68O14/c1-19(2)21(45)9-8-20(3)28-23(53-36-33(51)31(49)29(47)24(16-43)54-36)15-40(7)26-14-22(46)35-38(4,5)27(56-37-34(52)32(50)30(48)25(17-44)55-37)10-11-42(35)18-41(26,42)13-12-39(28,40)6/h20,22-37,43-44,46-52H,1,8-18H2,2-7H3
C42H68O14796.98094300
2301311

15 of 21 defined stereocentres - 15/21 defined
InChI=1/C42H68O14/c1-36(2)13-14-41-20-53-42(25(41)15-36)12-8-24-37(3)10-9-27(38(4,19-44)23(37)7-11-39(24,5)40(42,6)16-26(41)45)56-35-33(51)31(49)29(47)22(55-35)18-52-34-32(50)30(48)28(46)21(17-43)54-34/h8,12,21-35,43-51H,7,9-11,13-20H2,1-6H3/t21-,22-,23?,24?,25+,26-,27?,28-,29-,30+,31+,32-,33-,34-,35+,37+,38?,39-,40+,41?,42?/m1/s1
C42H68O14796.9809199999983300
149870

16 of 20 defined stereocentres - 16/20 defined
InChI=1/C42H68O14/c1-37(2)16-21-20-8-9-24-39(4)12-11-26(40(5,19-44)23(39)10-13-42(24,7)41(20,6)15-14-38(21,3)25(45)17-37)54-36-33(30(49)29(48)32(55-36)34(51)52)56-35-31(50)28(47)27(46)22(18-43)53-35/h8,21-33,35-36,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22-,23?,24?,25+,26?,27+,28+,29-,30+,31-,32+,33-,35+,36-,38-,39+,40?,41-,42-/m1/s1
C42H68O14796.98093400
348945

10 of 21 defined stereocentres - 10/21 defined
InChI=1/C42H68O14/c1-19(2)21(45)9-8-20(3)28-23(53-36-33(51)31(49)29(47)24(16-43)54-36)15-40(7)26-14-22(46)35-38(4,5)27(56-37-34(52)32(50)30(48)25(17-44)55-37)10-11-42(35)18-41(26,42)13-12-39(28,40)6/h20,22-37,43-44,46-52H,1,8-18H2,2-7H3/t20-,22+,23+,24?,25?,26+,27+,28+,29?,30?,31?,32?,33?,34?,35?,36?,37?,39-,40+,41+,42-/m1/s1
C42H68O14796.98093200
30786438

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H68O14/c1-19(2)21-14-23(46)35-41(7)11-8-20-28(40(41,6)12-13-42(21,35)18-44)22(45)15-26-38(3,4)27(9-10-39(20,26)5)56-37-34(52)32(50)30(48)25(55-37)17-53-36-33(51)31(49)29(47)24(16-43)54-36/h8,18-19,21-37,43,45-52H,9-17H2,1-7H3/t21-,22-,23+,24+,25+,26-,27-,28-,29+,30+,31-,32-,33+,34+,35+,36+,37-,39+,40-,41+,42+/m0/s1
C42H68O14796.98093400
10248969

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-32(50)33(29(47)24(19-44)54-35)56-34-31(49)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H68O14796.98093300
101935804

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C42H68O14/c1-21-28(47)33(56-34-31(50)30(49)29(48)24(18-43)54-34)32(51)35(53-21)55-27-10-11-38(5)25-9-8-22-23-16-36(2,3)12-14-41(23,20-45)26(46)17-39(22,6)37(25,4)13-15-42(38,52)40(27,7)19-44/h8-9,21,24-35,43-52H,10-20H2,1-7H3/t21-,24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35+,37-,38-,39-,40+,41-,42+/m1/s1
C42H68O14796.98093300
9796709

21 of 21 defined stereocentres - 21/21 defined
InChI=1/C42H68O14/c1-19-10-13-42(37(51)52)15-14-40(6)21(27(42)20(19)2)8-9-26-39(5)16-22(45)34(38(3,4)25(39)11-12-41(26,40)7)56-36-33(31(49)29(47)24(18-44)54-36)55-35-32(50)30(48)28(46)23(17-43)53-35/h10,20-36,43-50H,8-9,11-18H2,1-7H3,(H,51,52)/t20-,21-,22-,23-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34+,35+,36+,39+,40-,41-,42+/m1/s1
C42H68O14796.98092100
9868225

18 of 21 defined stereocentres - 18/21 defined
InChI=1/C42H68O14/c1-20(2)14-21-15-40(7,50)34-22-8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,6)41(22)18-42(34,56-21)51-19-41)54-36-32(49)33(29(46)24(17-44)53-36)55-35-31(48)30(47)28(45)23(16-43)52-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21?,22?,23-,24-,25+,26-,27+,28-,29-,30+,31-,32-,33+,34?,35+,36+,38+,39-,40+,41+,42+/m1/s1
C42H68O14796.98092100
9940529

17 of 20 defined stereocentres - 17/20 defined
InChI=1/C42H68O14/c1-20-27(46)29(48)31(50)34(53-20)55-32-30(49)28(47)24(18-43)54-35(32)56-36(52)42-14-12-37(2,3)16-22(42)21-8-9-26-38(4)17-23(45)33(51)39(5,19-44)25(38)10-11-41(26,7)40(21,6)13-15-42/h8,20,22-35,43-51H,9-19H2,1-7H3/t20-,22?,23+,24+,25?,26?,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H68O14796.98092100
9978107

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-45)25(38)9-12-41(26,40)6)55-35-32(50)33(29(47)24(19-44)54-35)56-34-31(49)30(48)28(46)23(18-43)53-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25?,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,38-,39-,40+,41+,42-/m0/s1
C42H68O14796.98092100
12345

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