Matches any text strings used to describe a molecule.
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 14 results

Search term: FNIRVWPHRMMRQI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
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
C41H70O13770.9867292800
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
C41H70O13770.9867171600
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
C41H70O13770.98675300
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
C41H70O13770.98674300
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
C41H70O13770.98673100
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
C41H70O13770.98672100
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
110803516

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+/m1/s1
C41H70O13770.98671100
113600433

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-/m1/s1
C41H70O13770.98671100
113609723

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
C41H70O13770.98671100
113610042

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
C41H70O13770.98671100
114391905

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
C41H70O13770.98671100
114813071

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
C41H70O13770.98671100

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