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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 19 results

Search term: CZQLULNMKQAIQL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4942634

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14-,18-,19+/m1/s1
C19H27NO7381.4202272600
4445055

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19-/m1/s1
C19H27NO7381.4202141400
5883854

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14+,18+,19+/m0/s1
C19H27NO7381.420210600
4513863

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-
C19H27NO7381.4201861000
4447507

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19?/m1/s1
C19H27NO7381.420184500
285341

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3
C19H27NO7381.42024200
21781532

Double-bond stereo

2 of 5 defined stereocentres - 2/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12?,14?,18?,19+/m1/s1
C19H27NO7381.42024300
60481401

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14?,18-,19+/m1/s1
C19H27NO7381.42024500
4885061

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14+,18?,19+/m0/s1
C19H27NO7381.42022200
5442426

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/p+1/b13-5-/t11-,12+,14-,18-,19+/m1/s1
C19H28NO7382.42761100
5883853

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/p+1/b13-5-/t11-,12+,14+,18+,19+/m0/s1
C19H28NO7382.42761100
3297940

Charge

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/p+1
C19H28NO7382.42761100
78432600

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14-,18+,19+/m1/s1
C19H27NO7381.42021100
95504644

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14?,18-,19-/m0/s1
C19H27NO7381.42021100
113608457

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14+,18-,19+/m1/s1
C19H27NO7381.42021100
113608463

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14+,18-,19-/m1/s1
C19H27NO7381.42021100
114970747

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12+,14?,18?,19+/m1/s1
C19H27NO7381.42021100
29272836

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5+/t11-,12+,14-,18-,19+/m1/s1
C19H27NO7381.42021600
35312429

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/t11-,12+,14-,18-,19+/m1/s1
C19H27NO7381.42021100

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