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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 37 results

Search term: BTHCJHQOYFUIMG (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445056

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m1/s1
C18H27NO5337.4107323100
16735972

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13+,14+,15+,18+/m0/s1
C18H27NO5337.4107213703
14316899

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-
C18H27NO5337.4107153800
57583188

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11?,13-,14-,15+,18?/m1/s1
C18H27NO5337.41078700
143491

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3
C18H27NO5337.41077800
4894109

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18+/m1/s1
C18H27NO5337.41077400
57257217

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15+,18-/m1/s1
C18H27NO5337.41076400
17460084

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18?/m1/s1
C18H27NO5337.41075200
21470547

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+
C18H27NO5337.41073300
4933434

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/t11-,13+,14+,15?,18+/m1/s1
C18H27NO5337.41073500
4946768

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/t11?,13-,14-,15+,18?/m1/s1
C18H27NO5337.41072200
7994925

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/t11?,13?,14?,15-,18?/m1/s1
C18H27NO5337.41072100
10074368

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14+,15-,18+/m0/s1
C18H27NO5337.41072100
10074370

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13+,14-,15+,18-/m1/s1
C18H27NO5337.41072100
10074372

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/t11-,13-,14+,15-,18-/m0/s1
C18H27NO5337.41072100
10074374

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13+,14-,15+,18+/m1/s1
C18H27NO5337.41072100
1266022

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14-,15-,18-/m0/s1
C18H27NO5337.41072100
4478670

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/t11?,13-,14?,15?,18?/m1/s1
C18H27NO5337.410682200
68025470

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4+/t11-,13+,14-,15-,18-/m1/s1
C18H27NO5337.41072300
12

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