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: JLGKQTAYUIMGRK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
59273

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2
C20H15Cl3N2OS437.76998214900
5036733

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1
C20H15Cl3N2OS437.7699262700
21240175

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1
C20H15Cl3N2OS437.7699131100
48061395

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/i6D,7D,9D2,12D,19D
C20H9D6Cl3N2OS443.80697600
58783654

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1/i6D,7D,9D2,12D,19D
C20H9D6Cl3N2OS443.80695500
68026341

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1/i19D
C20H14DCl3N2OS438.77613200
58783655

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m1/s1/i6D,7D,9D2,12D,19D
C20H9D6Cl3N2OS443.80692200
107439121

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/i4D,5D,6D,7D,8D,12D
C20H9D6Cl3N2OS443.80691100
114392784

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/t19-/m0/s1/i4D,5D,8D
C20H12D3Cl3N2OS440.78841100
34448837

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2/p+1/t19-/m1/s1
C20H16Cl3N2OS438.77731100

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