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 10 results

Search term: PGLIUCLTXOYQMV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
49830

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25ClN2O3.2ClH/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);2*1H
C21H27Cl3N2O3461.80968110207511
8131587

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/t21-;;/m1../s1
C21H27Cl3N2O3461.80977580141
9926273

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/t21-;;/m0../s1
C21H27Cl3N2O3461.8097292500
35293986

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/i10D2,11D2,12D2,13D2;;
C21H19D8Cl3N2O3469.859161600
38772323

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/i14D2,15D2;;
C21H23D4Cl3N2O3465.83437900
68896431

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/t21-;;/m0../s1/i14D2,15D2;;
C21H23D4Cl3N2O3465.83432100
115011005

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/t21-;;/m1../s1/i14D2,15D2;;
C21H23D4Cl3N2O3465.83431100
68007551

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/i15D,16D2;;/hD
C21H23D4Cl3N2O3465.83431100
68008256

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O3.2ClH/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);2*1H/i10D,14D2,15D2,16D2;;/hD
C21H19D8Cl3N2O3469.8591100

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