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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 66 results

Search term: C26H45NO21 (Found by molecular formula)
1234
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
389818

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1
C26H45NO21707.6296312900
108710

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1
C26H45NO21707.6296202200
8007354

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-14(35)20(46-25-18(39)15(36)12(33)7(2-28)43-25)10(5-31)45-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-9(4-30)42-23(41)17(38)16(21)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14-,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1
C26H45NO21707.6296181700
44205593

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-22(48-25-18(39)14(35)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)46-21-10(5-31)45-26(19(40)16(21)37)47-20-9(4-30)42-23(41)17(38)15(20)36/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+,22-,23?,24+,25+,26+/m1/s1
C26H45NO21707.6296111100
4443269

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23-,24+,25+,26+/m1/s1
C26H45NO21707.6296111200
8072176

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C26H45NO21/c1-7(33)27-13-22(47-25-19(41)18(40)15(37)10(4-30)44-25)16(38)11(5-31)43-24(13)48-23-17(39)12(6-32)45-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1
C26H45NO21707.629610800
26332952

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-14(35)12(33)7(2-28)43-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-10(5-31)45-25(18(39)16(21)37)46-20-9(4-30)42-23(41)17(38)15(20)36/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18-,19-,20-,21+,22+,23?,24+,25+,26-/m1/s1
C26H45NO21707.62968800
151409

19 of 19 defined stereocentres - 19/19 defined
InChI=1/C26H45NO21/c1-7(33)27-13-23(48-25-19(41)17(39)15(37)10(4-30)44-25)16(38)11(5-31)43-24(13)47-22-12(6-32)45-26(20(42)18(22)40)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17-,18+,19+,20+,21+,22-,23+,24-,25-,26-/m0/s1
C26H45NO21707.62967600
3636664

0 of 20 defined stereocentres - 0/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)
C26H45NO21707.62959999999965600
4346936

0 of 19 defined stereocentres - 0/19 defined
InChI=1/C26H45NO21/c1-7(33)27-13-17(39)22(47-25-19(41)18(40)15(37)10(4-30)43-25)12(6-32)45-24(13)48-23-16(38)11(5-31)44-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)
C26H45NO21707.62959999999969000
8344545

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-22(48-25-18(39)14(35)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)46-21-10(5-31)45-26(19(40)16(21)37)47-20-9(4-30)42-23(41)17(38)15(20)36/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20-,21+,22-,23-,24+,25+,26+/m1/s1
C26H45NO21707.62965500
30776576

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-15(36)20(10(5-31)42-23(11)41)46-25-18(39)22(14(35)8(3-29)44-25)48-26-19(40)21(13(34)9(4-30)45-26)47-24-17(38)16(37)12(33)7(2-28)43-24/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10+,11+,12-,13-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24-,25+,26+/m0/s1
C26H45NO21707.62965500
35016016

18 of 19 defined stereocentres - 18/19 defined
InChI=1/C26H45NO21/c1-7(33)27-8(2-28)13(35)21(9(34)3-29)46-25-20(42)22(16(38)12(6-32)44-25)47-26-23(18(40)15(37)11(5-31)45-26)48-24-19(41)17(39)14(36)10(4-30)43-24/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22-,23?,24+,25-,26+/m0/s1
C26H45NO21707.62964300
28533200

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-14(35)20(9(4-30)42-23(11)41)46-26-19(40)22(48-25-18(39)16(37)13(34)8(3-29)44-25)21(10(5-31)45-26)47-24-17(38)15(36)12(33)7(2-28)43-24/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20-,21+,22-,23-,24-,25-,26+/m1/s1
C26H45NO21707.62963400
58145656

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-20(14(35)9(4-30)43-24(11)48-22-17(38)13(34)7(2-28)42-23(22)41)46-26-19(40)21(15(36)10(5-31)45-26)47-25-18(39)16(37)12(33)8(3-29)44-25/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14-,15+,16+,17+,18-,19-,20-,21+,22+,23+,24+,25-,26+/m1/s1
C26H45NO21707.62963400
58145870

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(31)27-11-15(35)21(9(4-30)43-23(11)41)47-26-20(40)22(48-25-19(39)17(37)13(33)8(3-29)45-25)14(34)10(46-26)5-42-24-18(38)16(36)12(32)7(2-28)44-24/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19+,20+,21-,22+,23-,24+,25-,26+/m1/s1
C26H45NO21707.62963400
26331844

19 of 20 defined stereocentres - 19/20 defined
InChI=1/C26H45NO21/c1-6(32)27-11-20(46-25-17(38)16(37)12(33)7(2-28)44-25)13(34)9(4-30)43-24(11)47-22-15(36)10(5-31)45-26(19(22)40)48-21-14(35)8(3-29)42-23(41)18(21)39/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14-,15+,16+,17-,18-,19-,20-,21+,22+,23?,24+,25+,26+/m1/s1
C26H45NO21707.62963400
26332402

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(31)27-11-15(35)13(33)10(5-42-25-19(39)16(36)12(32)7(2-28)44-25)46-24(11)48-22-14(34)8(3-29)45-26(20(22)40)47-21-9(4-30)43-23(41)18(38)17(21)37/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16+,17-,18-,19-,20-,21-,22+,23-,24+,25-,26+/m1/s1
C26H45NO21707.62963400
26332403

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(31)27-11-15(35)21(47-26-19(39)17(37)13(33)8(3-29)45-26)10(5-42-25-18(38)16(36)12(32)7(2-28)44-25)46-24(11)48-22-14(34)9(4-30)43-23(41)20(22)40/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16+,17+,18-,19-,20-,21-,22+,23-,24+,25-,26+/m1/s1
C26H45NO21707.62963400
26332405

20 of 20 defined stereocentres - 20/20 defined
InChI=1/C26H45NO21/c1-6(31)27-11-14(34)22(48-26-19(39)16(36)13(33)8(3-29)45-26)10(43-23(11)41)5-42-24-20(40)17(37)21(9(4-30)46-24)47-25-18(38)15(35)12(32)7(2-28)44-25/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+/m1/s1
C26H45NO21707.62963400
1234

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