Matches any text strings used to describe a molecule.
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 16 results

Search term: ODAIHABQVKJNIY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
65017

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1
C17H28N2O5340.4146647010
24022537

4 of 5 defined stereocentres - 4/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12?,13-,14-/m0/s1
C17H28N2O5340.41463100
57268100

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m0/s1/i2+1,10+1,15+1
C1413C3H28N2O5343.39263200
65791462

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11+,12-,13+,14+/m1/s1
C17H28N2O5340.414621200
76920484

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14+/m0/s1
C17H28N2O5340.41462200
78315616

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11+,12+,13+,14-/m0/s1
C17H28N2O5340.41462200
23230293

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11?,12?,13?,14?/m0/s1
C17H28N2O5340.41462200
110806327

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11?,12-,13?,14-/m0/s1
C17H28N2O5340.41461100
111311890

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11+,12+,13+,14-/m1/s1
C17H28N2O5340.41461100
111311892

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14+/m1/s1
C17H28N2O5340.41461100
128919401

4 of 5 defined stereocentres - 4/5 defined

Non-standard isotope
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10?,11-,12-,13-,14-/m0/s1/i2+1,10+1,15+1
C1413C3H28N2O5343.39261100
78075836

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11+,12-,13+,14-/m1/s1
C17H28N2O5340.41461100
78076066

5 of 5 defined stereocentres - 5/5 defined

Non-standard isotope
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m1/s1/i2D3,10D
C17H24D4N2O5344.43931100
78273154

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12-,13-,14-/m1/s1
C17H28N2O5340.41461100
29787800

3 of 5 defined stereocentres - 3/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11-,12?,13-,14?/m0/s1
C17H28N2O5340.41461100
23230273

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C17H28N2O5/c1-3-6-12(16(21)22)18-10(2)15(20)19-13-8-5-4-7-11(13)9-14(19)17(23)24/h10-14,18H,3-9H2,1-2H3,(H,21,22)(H,23,24)/t10-,11?,12?,13?,14?/m1/s1
C17H28N2O5340.41461100

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