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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: BCJMNZRQJAVDLD (Found by InChIKey (skeleton match))
12
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10202249

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1
C18H25NO6351.39424777918
21269895

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m1/s1
C18H25NO6351.3942383700
13076866

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+/m0/s1
C18H25NO6351.3942151600
9778

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-/m1/s1
C18H25NO6351.3942141400
4509313

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-
C18H25NO6351.3942712000
1169816

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15+,18+/m1/s1
C18H25NO6351.39424200
23345558

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+
C18H25NO6351.39424200
26363487

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14+,15+,18+/m0/s1
C18H25NO6351.394241000
58785003

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined

Non-standard isotope
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1/i6D2,9D2
C18H21D4NO6355.41883300
68911781

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18?/m1/s1
C18H25NO6351.39423300
1266023

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15-,18-/m0/s1
C18H25NO6351.39423500
235462

Double-bond stereo

0 of 4 defined stereocentres - 0/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3
C18H25NO6351.39423200
4478866

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15?,18-/m1/s1
C18H25NO6351.39422500
4932454

Double-bond stereo

3 of 4 defined stereocentres - 3/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14-,15?,18+/m1/s1
C18H25NO6351.39422200
5027516

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15+,18+/m1/s1
C18H25NO6351.39422100
5036881

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/t11-,14+,15+,18+/m0/s1
C18H25NO6351.39422200
5258967

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15-,18+/m0/s1
C18H25NO6351.39422100
10044626

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15+,18-/m1/s1
C18H25NO6351.39422100
10044628

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14+,15-,18-/m0/s1
C18H25NO6351.39422100
30772347

Double-bond stereo

4 of 4 defined stereocentres - 4/4 defined
InChI=1/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3+/t11-,14-,15-,18-/m0/s1
C18H25NO6351.39422200
12

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