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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: C41H70O13 (Found by molecular formula)
123
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24668785

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,38+,39+,40+,41-/m0/s1
C41H70O13770.9867313400
10229017

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41-/m0/s1
C41H70O13770.9867283400
30773368

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41+/m0/s1
C41H70O13770.9867161800
29814613

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26?,27-,28-,29-,30+,31-,32+,33+,34?,35-,36+,38+,39+,40+,41-/m0/s1
C41H70O13770.98675500
24640936

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-51-35-32(49)29(46)24(18-42)52-35)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)23(44)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,38+,39+,40+,41-/m0/s1
C41H70O13770.98674400
58807068

18 of 20 defined stereocentres - 18/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22-,23+,24+,25+,26?,27+,28+,29-,30+,31-,32+,33+,34?,35-,36+,38+,39-,40+,41+/m0/s1
C41H70O13770.98674400
137384

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C41H70O13/c1-3-4-6-13-30(43)21-38(51)25-34(47)17-10-18-35(48)26-39(52)22-31(44)14-7-5-8-15-32(45)23-40(53)27-36(49)19-11-20-37(50)28-41(54)24-33(46)16-9-12-29(2)42/h30,32,38-41,43,45,51-54H,3-28H2,1-2H3
C41H70O13770.98674400
4951828

Double-bond stereo

0 of 15 defined stereocentres - 0/15 defined
InChI=1/C41H70O13/c1-8-28(42)21-29-16-14-19-40(52-29)23-30-25(2)31(53-40)24-41(50)27(22-37(4,5)54-41)15-12-10-9-11-13-18-38(6,48)36(47)34(45)33(44)26(3)35(46)39(7,49)20-17-32(43)51-30/h12,15,17,20,25-31,33-36,42,44-50H,8-11,13-14,16,18-19,21-24H2,1-7H3/b15-12-,20-17+
C41H70O13770.98674400
68897593

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41-/m1/s1
C41H70O13770.98673300
103836122

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22-,23+,24+,25+,26+,27+,28-,29-,30+,31-,32+,33+,34?,35-,36+,38+,39+,40+,41+/m0/s1
C41H70O13770.98673300
82966080

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36+,38+,39+,40+,41+/m1/s1
C41H70O13770.98672200
8994285

19 of 21 defined stereocentres - 19/21 defined
InChI=1/C41H70O13/c1-19(9-10-26(37(5,6)50)53-34-31(48)29(46)23(43)17-51-34)21-11-12-39(8)33-22(42)15-24-36(3,4)27(54-35-32(49)30(47)28(45)20(2)52-35)16-25(44)41(24)18-40(33,41)14-13-38(21,39)7/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21?,22+,23-,24?,25+,26+,27+,28+,29+,30-,31-,32-,33+,34+,35+,38-,39+,40+,41-/m1/s1
C41H70O13770.98672200
9518182

16 of 20 defined stereocentres - 16/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26?,27-,28?,29?,30+,31-,32-,33+,34?,35-,36-,38+,39+,40+,41-/m0/s1
C41H70O13770.98672200
10142364

9 of 20 defined stereocentres - 9/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(49)31(47)30(46)25(53-36)19-52-35-32(48)29(45)24(44)18-51-35)21-11-14-40(7)28(21)22(42)16-27-38(5)17-23(43)34(50)37(3,4)26(38)12-15-39(27,40)6/h10,21-36,42-50H,9,11-19H2,1-8H3/t21?,22?,23?,24-,25-,26?,27?,28?,29+,30-,31+,32-,33-,34?,35-,36+,38?,39?,40?,41?/m1/s1
C41H70O13770.98672300
10142369

9 of 19 defined stereocentres - 9/19 defined
InChI=1/C41H70O13/c1-21(2)9-8-13-40(7,54-36-34(50)32(48)31(47)25(53-36)19-52-35-33(49)30(46)24(44)18-51-35)22-10-14-39(6)29(22)23(43)17-27-38(39,5)15-11-26-37(3,4)28(45)12-16-41(26,27)20-42/h9,22-36,42-50H,8,10-20H2,1-7H3/t22?,23?,24-,25-,26?,27?,28?,29?,30+,31-,32+,33-,34-,35-,36+,38?,39?,40?,41?/m1/s1
C41H70O13770.98672200
10142396

Double-bond stereo

9 of 19 defined stereocentres - 9/19 defined
InChI=1/C41H70O13/c1-21(18-42)9-8-13-41(7,54-36-34(50)32(48)31(47)25(53-36)20-52-35-33(49)30(46)24(44)19-51-35)22-10-15-40(6)29(22)23(43)17-27-38(4)14-12-28(45)37(2,3)26(38)11-16-39(27,40)5/h9,22-36,42-50H,8,10-20H2,1-7H3/b21-9+/t22?,23?,24-,25-,26?,27?,28?,29?,30+,31-,32-,33-,34-,35-,36+,38?,39?,40?,41?/m1/s1
C41H70O13770.98672200
10142401

10 of 19 defined stereocentres - 10/19 defined
InChI=1/C41H70O13/c1-21(2)8-7-9-24(51-36-34(49)32(47)30(45)25(18-42)52-36)22-12-15-39(5)23(22)10-11-28-40(39,6)16-13-27-38(3,4)29(14-17-41(27,28)20-44)54-37-35(50)33(48)31(46)26(19-43)53-37/h8,22-37,42-50H,7,9-20H2,1-6H3/t22?,23?,24?,25-,26-,27?,28?,29?,30-,31-,32+,33+,34-,35-,36-,37+,39?,40?,41?/m1/s1
C41H70O13770.98672200
10142402

10 of 19 defined stereocentres - 10/19 defined
InChI=1/C41H70O13/c1-21(2)8-7-9-24(45)22-12-15-39(5)23(22)10-11-28-40(39,6)16-13-27-38(3,4)29(14-17-41(27,28)20-44)53-37-35(33(49)31(47)26(19-43)52-37)54-36-34(50)32(48)30(46)25(18-42)51-36/h8,22-37,42-50H,7,9-20H2,1-6H3/t22?,23?,24?,25-,26-,27?,28?,29?,30-,31-,32+,33+,34-,35-,36+,37+,39?,40?,41?/m1/s1
C41H70O13770.98672200
10142586

9 of 20 defined stereocentres - 9/20 defined
InChI=1/C41H70O13/c1-20(2)10-9-13-41(8,50)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)24(17-40(26,39)7)52-36-33(31(48)30(47)25(18-42)53-36)54-35-32(49)29(46)23(44)19-51-35/h10,21-36,42-50H,9,11-19H2,1-8H3/t21?,22?,23-,24?,25-,26?,27?,28?,29+,30-,31+,32-,33-,34?,35-,36-,38?,39?,40?,41?/m1/s1
C41H70O13770.98672200
10192782

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C41H70O13/c1-36(2)24-10-15-39(6)25(17-21(43)28-20(9-14-40(28,39)7)41(8)16-12-27(54-41)37(3,4)49)38(24,5)13-11-26(36)52-35-33(29(45)22(44)19-50-35)53-34-32(48)31(47)30(46)23(18-42)51-34/h20-35,42-49H,9-19H2,1-8H3/t20-,21+,22+,23+,24-,25+,26-,27-,28-,29-,30+,31-,32+,33+,34-,35-,38-,39+,40+,41-/m0/s1
C41H70O13770.98672221
123

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