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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
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Found 87 results

Search term: C22H38N2O16 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
26332556

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(27)23-11-16(32)13(29)8(3-25)38-21(11)36-5-10-15(31)19(12(20(35)37-10)24-7(2)28)40-22-18(34)17(33)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+/m1/s1
C22H38N2O16586.5409111100
2339961

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1
C22H38N2O16586.5409199999998600
9642227

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-14(31)18(9(4-26)36-20(11)35)39-21-12(24-7(2)29)15(32)19(10(5-27)38-21)40-22-17(34)16(33)13(30)8(3-25)37-22/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20-,21+,22+/m1/s1
C22H38N2O16586.540961000
9976145

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C22H38N2O16/c1-6(27)23-11-15(31)14(30)10(37-20(11)35)5-36-21-12(24-7(2)28)16(32)19(9(4-26)39-21)40-22-18(34)17(33)13(29)8(3-25)38-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17+,18-,19-,20?,21-,22+/m1/s1
C22H38N2O16586.54095500
8296673

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C22H38N2O16/c1-6(27)23-11-16(32)13(29)8(3-25)38-21(11)36-5-10-15(31)19(12(20(35)37-10)24-7(2)28)40-22-18(34)17(33)14(30)9(4-26)39-22/h8-22,25-26,29-35H,3-5H2,1-2H3,(H,23,27)(H,24,28)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20?,21-,22+/m1/s1
C22H38N2O16586.54095500
8479308

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-16(33)18(10(5-27)36-20(11)35)39-22-17(34)19(14(31)9(4-26)38-22)40-21-12(24-7(2)29)15(32)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19+,20-,21+,22+/m1/s1
C22H38N2O16586.54095500
9299896

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-14(31)18(9(4-26)36-20(11)35)39-21-12(24-7(2)29)15(32)19(10(5-27)38-21)40-22-17(34)16(33)13(30)8(3-25)37-22/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20?,21+,22+/m1/s1
C22H38N2O16586.54095400
8407564

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-16(33)13(30)8(3-25)37-21(11)40-19-15(32)10(5-27)38-22(17(19)34)39-18-12(24-7(2)29)20(35)36-9(4-26)14(18)31/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14+,15+,16-,17-,18-,19+,20?,21+,22+/m1/s1
C22H38N2O16586.54094300
8479307

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-16(33)18(10(5-27)36-20(11)35)39-22-17(34)19(14(31)9(4-26)38-22)40-21-12(24-7(2)29)15(32)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22+/m1/s1
C22H38N2O16586.54094300
110729

12 of 14 defined stereocentres - 12/14 defined
InChI=1/C22H38N2O16/c1-7(28)23-13-18(35)16(33)11(4-26)38-21(13)37-6-10(31)15(32)20(9(30)3-25)40-22-14(24-8(2)29)19(36)17(34)12(5-27)39-22/h3,9-22,26-27,30-36H,4-6H2,1-2H3,(H,23,28)(H,24,29)/t9-,10+,11+,12+,13+,14+,15-,16+,17+,18+,19+,20?,21+,22?/m0/s1
C22H38N2O16586.54094400
111308

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C22H38N2O16/c1-7(29)23-9(3-25)19(14(32)10(31)4-26)39-21-13(24-8(2)30)16(34)20(12(6-28)38-21)40-22-18(36)17(35)15(33)11(5-27)37-22/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9?,10-,11-,12-,13-,14+,15+,16-,17+,18-,19-,20-,21+,22+/m1/s1
C22H38N2O16586.54094400
2299864

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C22H38N2O16/c1-7(29)23-9(3-25)19(39-22-18(36)17(35)15(33)12(6-28)38-22)20(10(31)4-26)40-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14+,15-,16+,17-,18+,19+,20-,21-,22-/m0/s1
C22H38N2O16586.5409199999994400
2338601

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C22H38N2O16/c1-7(29)23-9(3-25)19(39-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21)20(10(31)4-26)40-22-18(36)17(35)15(33)12(6-28)38-22/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14+,15+,16+,17-,18-,19+,20+,21-,22-/m0/s1
C22H38N2O16586.5409199999994400
9988600

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-14(31)18(9(4-26)36-20(11)35)39-21-12(24-7(2)29)15(32)19(10(5-27)38-21)40-22-17(34)16(33)13(30)8(3-25)37-22/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17+,18-,19-,20+,21+,22+/m1/s1
C22H38N2O16586.54094300
26332150

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-15(32)13(30)8(3-25)37-21(11)39-18-10(5-27)38-22(12(16(18)33)24-7(2)29)40-19-14(31)9(4-26)36-20(35)17(19)34/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20+,21+,22+/m1/s1
C22H38N2O16586.54093400
26332375

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-18(14(31)9(4-26)36-20(11)35)39-21-12(24-7(2)29)19(15(32)10(5-27)37-21)40-22-17(34)16(33)13(30)8(3-25)38-22/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15+,16+,17-,18-,19-,20?,21?,22+/m1/s1
C22H38N2O16586.54093400
28533563

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-15(32)18(9(4-26)36-20(11)35)40-22-17(34)16(33)19(10(5-27)38-22)39-21-12(24-7(2)29)14(31)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20-,21+,22+/m1/s1
C22H38N2O16586.54093400
29368541

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-15(32)13(30)8(3-25)37-21(11)40-19-12(24-7(2)29)22(38-9(4-26)14(19)31)39-18-10(5-27)36-20(35)17(34)16(18)33/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14-,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1
C22H38N2O16586.54093400
58145657

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-15(32)13(30)9(4-26)37-21(11)39-18-10(5-27)38-22(12(16(18)33)24-7(2)29)40-19-17(34)14(31)8(3-25)36-20(19)35/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14-,15-,16-,17+,18-,19+,20+,21+,22+/m1/s1
C22H38N2O16586.54093400
88294555

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C22H38N2O16/c1-6(28)23-11-16(33)13(30)8(3-25)37-21(11)40-19-15(32)10(5-27)38-22(17(19)34)39-18-12(24-7(2)29)20(35)36-9(4-26)14(18)31/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14-,15+,16-,17-,18-,19+,20-,21-,22+/m1/s1
C22H38N2O16586.54093300
12345

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