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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 15 results

Search term: LELBFTMXCIIKKX (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2298865

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1
C23H30N2O4398.495349575737
20124314

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19-/m1/s1
C23H30N2O4398.4953151600
2297465

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19?/m1/s1
C23H30N2O4398.4953141300
4525455

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-
C23H30N2O4398.495373600
32738763

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-/t14-,16+,19+/m1/s1
C23H30N2O4398.49535300
9916292

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16-,19+/m0/s1
C23H30N2O4398.49535400
82827101

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1/i3D3
C23H27D3N2O4401.51384300
57619182

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/t14-,16+,19+/m1/s1
C23H30N2O4398.49534200
531922

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3
C23H30N2O4398.49533100
8494148

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-/t14-,16+,19+/m0/s1
C23H30N2O4398.49532100
68027457

Double-bond stereo

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14?,16-,19+/m0/s1
C23H30N2O4398.49532200
23152135

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13-/t14-,16+,19-/m1/s1
C23H30N2O4398.49532200
30991717

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+
C23H30N2O4398.49531100
107445460

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1/i4D3
C23H27D3N2O4401.51381100
114391165

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/t14-,16+,19+/m0/s1
C23H30N2O4398.49531100

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