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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
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Isotopically Labeled
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Found 81 results

Search term: C27H43NO8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
391279

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27-/m0/s1
C27H43NO8509.6322222112
391289

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1
C27H43NO8509.6322151800
392052

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H43NO8/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24/h10,17,20-22,30,33H,1,11-15H2,2-9H3/t17-,20-,21-,22-,24-,25-,26+,27-/m0/s1
C27H43NO8509.6322141300
16735731

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1
C27H43NO8509.63221414076
232506

0 of 14 defined stereocentres - 0/14 defined
InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3
C27H43NO8509.6322121600
17467677

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C23H32O7.C4H11NO/c1-20-6-3-16-17(23(20,29)9-5-15(20)13-10-18(25)30-12-13)4-7-21(28)11-14(24)2-8-22(16,21)19(26)27;1-4(2,5)3-6/h10,14-17,24,28-29H,2-9,11-12H2,1H3,(H,26,27);6H,3,5H2,1-2H3/t14-,15+,16-,17+,20+,21-,22+,23-;/m0./s1
C27H43NO8509.63227500
390363

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H43NO8/c1-7-28-12-24(13-36-14(2)29)9-8-18(33-4)26-16-10-15-17(32-3)11-25(30,19(16)20(15)34-5)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25-,26+,27-/m1/s1
C27H43NO8509.63227700
362684

0 of 16 defined stereocentres - 0/16 defined
InChI=1/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3
C27H43NO8509.63226400
390309

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23?,24+,25-,26+,27-/m1/s1
C27H43NO8509.63226600
8705077

8 of 8 defined stereocentres - 8/8 defined
InChI=1/C27H43NO8/c1-10-24(7)13-18(31)27(33)25(8)17(30)11-12-23(5,6)20(25)19(35-22(32)28-14-15(2)3)21(34-16(4)29)26(27,9)36-24/h10,15,17,19-21,30,33H,1,11-14H2,2-9H3,(H,28,32)/t17-,19-,20-,21-,24-,25-,26+,27-/m0/s1
C27H43NO8509.63225400
9974510

Double-bond stereo

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H43NO8/c1-15-21(29)22(30)23(31)24(35-15)36-18-7-10-25(2)17(14-18)4-5-20-19(25)8-11-26(3)16(9-13-28(33)34)6-12-27(20,26)32/h9,13,15-24,29-32H,4-8,10-12,14H2,1-3H3/b13-9+/t15-,16+,17+,18-,19-,20+,21-,22+,23+,24-,25-,26+,27-/m0/s1
C27H43NO8509.63225400
19953392

16 of 16 defined stereocentres - 16/16 defined
InChI=1/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18-,19+,20+,21+,22-,23-,24+,25+,26-,27+/m0/s1
C27H43NO8509.63225400
2732

0 of 8 defined stereocentres - 0/8 defined
InChI=1/C27H43NO8/c1-10-24(5)15-18(31)27(33)25(6)17(30)11-13-23(3,4)21(25)20(35-19(32)12-14-28(8)9)22(34-16(2)29)26(27,7)36-24/h10,17,20-22,30,33H,1,11-15H2,2-9H3
C27H43NO8509.63225400
16738898

14 of 14 defined stereocentres - 14/14 defined
InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,25+,26-,27+/m0/s1
C27H43NO8509.63225600
10067

4 of 16 defined stereocentres - 4/16 defined
InChI=1/C27H43NO8/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25/h12-22,29-35H,4-11H2,1-3H3/t12?,13?,14?,15-,16?,17?,18?,19?,20?,21?,22+,23?,24-,25?,26+,27?/m1/s1
C27H43NO8509.63224300
243003

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C27H43NO8/c1-14-4-7-19-23(3,32)27(36)18(12-28(19)11-14)26(35)13-25(34)17(24(26,33)10-20(27)30)6-5-15-21(31)16(29)8-9-22(15,25)2/h14-20,29-30,32-36H,4-13H2,1-3H3
C27H43NO8509.63224300
5256830

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,25+,26-,27?/m0/s1
C27H43NO8509.63224400
8634391

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C27H43NO8/c1-5-6-7-13-16-23(32)17-14-11-9-8-10-12-15-18-24-25(35-22(4)31)27(26(33)36-24,28-20(2)29)19-34-21(3)30/h12,15,24-25H,5-11,13-14,16-19H2,1-4H3,(H,28,29)/b15-12+/t24-,25+,27+/m1/s1
C27H43NO8509.63223200
22903735

2 of 14 defined stereocentres - 2/14 defined
InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,24?,25-,26?,27+/m1/s1
C27H43NO8509.63223200
88297269

13 of 14 defined stereocentres - 13/14 defined
InChI=1/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,25?,26-,27-/m0/s1
C27H43NO8509.63223200
12345

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