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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 37 results

Search term: NAEWXXDGBKTIMN (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10313322

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1
C30H39NO5493.6344171900
21169410

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23?,24-,25+,26?,27+,29-,30+/m0/s1
C30H39NO5493.6344121800
4510130

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9-,15-14-
C30H39NO5493.63449600
4508334

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+
C30H39NO5493.634471100
35519219

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9-,15-14-/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1
C30H39NO5493.63447600
2818

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)
C30H39NO5493.63446300
4939382

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29+,30?/m0/s1
C30H39NO5493.63446600
16498761

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9-,15-14+
C30H39NO5493.63444401
49070775

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9-,15-14-/t18-,19+,23?,24-,25+,26?,27+,29-,30+/m0/s1
C30H39NO5493.63443200
62988627

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14-/t18-,19+,23-,24-,25+,26-,27+,29-,30+/m0/s1
C30H39NO5493.63443200
30988543

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9-,15-14-/t18-,19+,23-,24-,25+,26-,27+,29+,30?/m0/s1
C30H39NO5493.63443100
23165527

Double-bond stereo

0 of 9 defined stereocentres - 0/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14-
C30H39NO5493.63442200
71048660

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25?,26?,27+,29-,30?/m0/s1
C30H39NO5493.63442200
73997159

Double-bond stereo

7 of 9 defined stereocentres - 7/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9-,15-14-/t18-,19+,23?,24-,25?,26?,27+,29-,30+/m0/s1
C30H39NO5493.63442200
103846882

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30-/m0/s1
C30H39NO5493.63442200
115015198

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14-/t18-,19+,23-,24-,25+,26?,27+,29-,30+/m0/s1
C30H39NO5493.63442200
17339848

Double-bond stereo

6 of 9 defined stereocentres - 6/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19?,23?,24-,25+,26?,27+,29-,30+/m0/s1
C30H39NO5493.63442200
5145193

Double-bond stereo

9 of 9 defined stereocentres - 9/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/t18-,19+,23-,24+,25-,26-,27-,29-,30-/m1/s1
C30H39NO5493.63442100
8158767

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14+/t18-,19+,23-,24-,25+,26-,27+,29-,30?/m0/s1
C30H39NO5493.63442100
129154359

Double-bond stereo

8 of 9 defined stereocentres - 8/9 defined
InChI=1/C30H39NO5/c1-18-10-9-13-23-27(33)20(3)19(2)26-24(16-22-11-7-6-8-12-22)31-28(34)30(23,26)25(36-21(4)32)14-15-29(5,35)17-18/h6-9,11-15,18-19,23-27,33,35H,3,10,16-17H2,1-2,4-5H3,(H,31,34)/b13-9+,15-14-/t18-,19+,23-,24-,25?,26-,27+,29-,30+/m0/s1
C30H39NO5493.63441100
12

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