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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 13 results

Search term: PLGBHVNNYDZWGZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21865984

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1
C18H25NO6351.3942232400
10214136

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-,19?/m1/s1
C18H25NO6351.39428710
97062

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14-,15-,18-,19?/m1/s1
C18H25NO6351.39427800
3617285

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3
C18H25NO6351.39423300
128938632

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14+,15+,18+,19?/m0/s1
C18H25NO6351.39422200
58783699

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1/i3D3
C18H22D3NO6354.41272200
68911778

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18?,19?/m1/s1
C18H25NO6351.39422200
82827253

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m0/s1
C18H25NO6351.39422100
82964775

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14-,15-,18-,19?/m0/s1
C18H25NO6351.39421100
110805294

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11?,14-,15-,18-,19?/m1/s1
C18H25NO6351.39421100
113608476

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11-,14+,15-,18-,19?/m1/s1
C18H25NO6351.39421100
129310341

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/t11?,14-,15-,18-,19?/m1/s1
C18H25NO6351.39421100

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