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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 17 results

Search term: IDIMIWQPUHURPV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4445049

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1
C18H25NO7367.3936151700
76962844

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-,19?/m1/s1
C18H25NO7367.3936101200
21781868

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+,19?/m0/s1
C18H25NO7367.39368600
3317818

Double-bond stereo

0 of 5 defined stereocentres - 0/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3
C18H25NO7367.39363200
32697679

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19-/m1/s1
C18H25NO7367.39362400
62405302

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18+,19-/m1/s1
C18H25NO7367.39362200
4938746

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15?,18-,19?/m1/s1
C18H25NO7367.39362200
20141891

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18+,19?/m1/s1
C18H25NO7367.39361100
21256732

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15?,18-,19?/m1/s1
C18H25NO7367.39361100
68911774

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18?,19?/m0/s1
C18H25NO7367.39361100
58785004

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1/i6D2,9D2
C18H21D4NO7371.41821100
78430566

Double-bond stereo

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11?,14-,15-,18-,19?/m1/s1
C18H25NO7367.39361100
113608468

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15+,18+,19?/m0/s1
C18H25NO7367.39361100
114544951

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+,19?/m1/s1
C18H25NO7367.39361100
114813967

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14+,15-,18+,19?/m0/s1
C18H25NO7367.39361100
129308748

Double-bond stereo

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-,19?/m1/s1
C18H25NO7367.39361100

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