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 11 results

Search term: INUCRGMCKDQKNA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
20133376

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
C22H29NO3355.4706221600
10725324

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3
C22H29NO3355.470683900
4677866

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22+/m0/s1
C22H29NO3355.47065400
13110169

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22-/m1/s1
C22H29NO3355.47063300
5292279

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21+,22+/m0/s1
C22H29NO3355.470562200
8151093

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19?,21-,22+/m0/s1
C22H29NO3355.47062100
8196822

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22+/m0/s1/i4T
C22H28TNO3357.47872100
13180345

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21+,22+/m0/s1/i4T
C22H28TNO3357.47871100
17346435

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21+,22?/m1/s1
C22H29NO3355.47061100
58816505

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22?/m1/s1
C22H29NO3355.47061100
114815881

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22+/m1/s1
C22H29NO3355.47061100

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