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 13 results

Search term: ZKLPARSLTMPFCP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2577

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)
C21H25ClN2O3388.8878115890107714
1266001

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1
C21H25ClN2O3388.887888112123214
132836

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1
C21H25ClN2O3388.8878333400
24533363

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/i14D2,15D2
C21H21D4ClN2O3392.9124141200
62922411

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/i10D2,11D2,12D2,13D2
C21H17D8ClN2O3396.93717600
48058617

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m1/s1/i14D2,15D2
C21H21D4ClN2O3392.91245700
3478553

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/p+2
C21H27ClN2O3390.903682200
76827124

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/i10D,14D2,15D2,16D2/hD
C21H17D8ClN2O3396.93712300
95593310

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/i/hD
C21H24DClN2O3389.8941100
103849008

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/i1+1,2+1,3+1,4+1,5+1,17+1
C1513C6H25ClN2O3394.84371100
114550782

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/t21-/m0/s1/i14D2,15D2
C21H21D4ClN2O3392.91241100
1266000

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/p+1/t21-/m1/s1
C21H26ClN2O3389.89521100
1266002

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)/p+1/t21-/m0/s1
C21H26ClN2O3389.89521100

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