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 6 results

Search term: BQKADKWNRWCIJL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
58808

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H
C18H24ClNO3337.84106111184554
48060007

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H/i1D3,2D2,13D;
C18H18D6ClNO3343.87881000
48060006

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H/i10D2,11D2;
C18H20D4ClNO3341.86577800
34986258

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H/t13-;/m0./s1
C18H24ClNO3337.84116500
18675987

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H/t13-;/m1./s1
C18H24ClNO3337.84112300
81367417

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H/i11+2;
C1714CH24ClNO3339.83361100

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