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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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Single/Multi-component
Isotopically Labeled
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Found 96 results

Search term: C27H41NO8 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9331546

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1
C27H41NO8507.6163363500
8729038

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9-,16-7+/t17-,18-,19+,21+,22-,23+,25+,26-,27+/m0/s1
C27H41NO8507.6163272700
390331

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27-/m1/s1
C27H41NO8507.6163191600
7982010

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C27H41NO8/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)26(34)19(3)27(35)22(36-4)12-7-5-6-8-13-25(32)33/h7-8,12-14,17,19-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,18-14+
C27H41NO8507.616312900
57256852

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27-/m1/s1
C27H41NO8507.61638800
145078

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3
C27H41NO8507.61637600
8024838

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C27H41NO8/c1-17(14-18(2)27(35)22(36-4)12-7-5-6-8-13-25(32)33)26(34)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,18-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,17-14+
C27H41NO8507.61637300
21781478

11 of 13 defined stereocentres - 11/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19?,20?,21+,22+,23+,24+,25-,26-,27-/m1/s1
C27H41NO8507.61637500
23332982

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H41NO8/c1-17(14-18(2)27(35)22(36-4)12-7-5-6-8-13-25(32)33)26(34)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,18-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,17-14+/t18-,19-,22+,26+,27+/m1/s1
C27H41NO8507.61636500
4951742

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9+,16-7+/t17-,18-,19+,21?,22-,23+,25+,26-,27?/m0/s1
C27H41NO8507.61636600
432819

0 of 13 defined stereocentres - 0/13 defined
InChI=1/C27H41NO8/c1-6-28-11-25(12-29)8-7-18(32)27-16-9-15-17(33-4)10-26(36-14(3)31,19(16)21(15)35-13(2)30)20(24(27)28)22(34-5)23(25)27/h15-24,29,32H,6-12H2,1-5H3
C27H41NO8507.61634300
23332983

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H41NO8/c1-17(14-18(2)27(35)22(36-4)12-7-5-6-8-13-25(32)33)26(34)19(3)21(29)11-9-10-20-15-23(30)28-24(31)16-20/h7-8,12-14,18-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,17-14+/t18-,19-,22+,26-,27+/m1/s1
C27H41NO8507.61634400
24604151

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C27H41NO8/c1-17(21(29)11-9-10-20-15-23(30)28-24(31)16-20)14-18(2)26(34)19(3)27(35)22(36-4)12-7-5-6-8-13-25(32)33/h7-8,12-14,17,19-20,22,26-27,34-35H,5-6,9-11,15-16H2,1-4H3,(H,32,33)(H,28,30,31)/b12-7+,13-8+,18-14+/t17-,19+,22-,26-,27-/m0/s1
C27H41NO8507.61634300
22875225

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26?,27+/m1/s1
C27H41NO8507.61634200
71061074

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26+,27-/m1/s1
C27H41NO8507.61634400
10145901

6 of 13 defined stereocentres - 6/13 defined
InChI=1/C27H41NO8/c1-7-28-12-22(3)9-8-17(33-5)25-19(22)18(14(2)29)26(21(25)28)24(35-13-36-26)11-16(32-4)15-10-23(25,30)27(24,31)20(15)34-6/h15-21,30-31H,7-13H2,1-6H3/t15?,16-,17+,18?,19?,20+,21+,22+,23?,24?,25-,26?,27?/m1/s1
C27H41NO8507.61633300
31115615

12 of 13 defined stereocentres - 12/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22?,23+,24+,25-,26-,27+/m1/s1
C27H41NO8507.61633200
5145950

9 of 13 defined stereocentres - 9/13 defined
InChI=1/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15?,16-,17-,18-,19?,20?,21-,22-,23-,24-,25+,26+,27?/m0/s1
C27H41NO8507.61633200
8133497

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C27H41NO8/c1-16(8-11-23-25(31)27(15-33-27)14-26(6,32)36-23)7-10-22-17(2)13-21(19(4)35-22)28-24(30)12-9-18(3)34-20(5)29/h7-9,11-12,17-19,21-23,25,31-32H,10,13-15H2,1-6H3,(H,28,30)/b11-8+,12-9-,16-7+
C27H41NO8507.61633200
9071718

13 of 13 defined stereocentres - 13/13 defined
InChI=1/C27H41NO8/c1-13-4-7-18-25(3,34)20-14(12-28(18)11-13)16-10-26-17(27(16,35)22(32)21(20)31)6-5-15(23(33)36-26)24(26,2)9-8-19(29)30/h13-18,20-22,31-32,34-35H,4-12H2,1-3H3,(H,29,30)/t13-,14-,15+,16-,17+,18-,20+,21+,22-,24-,25+,26+,27-/m0/s1
C27H41NO8507.61633200
12345

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