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 9 results

Search term: JICJBGPOMZQUBB (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
62102

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
C21H25ClN2O4S436.9522933513671
9815420

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/t21-/m1/s1
C21H25ClN2O4S436.95226500
9879502

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/t21-/m0/s1
C21H25ClN2O4S436.95226400
58784518

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/i2D2,3D2,4D2,7D2,10D2,13D2
C21H13D12ClN2O4S449.02616400
71117124

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/i2D2,3D2,7D2
C21H19D6ClN2O4S442.98924300
95617743

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/p-1
C21H24ClN2O4S435.94481100
107433707

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/i3D2,7D2
C21H21D4ClN2O4S440.97681100
114810879

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/t21-/m1/s1/i2D2,3D2,4D2,7D2,10D2,13D2
C21H13D12ClN2O4S449.02611100
114810880

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)/t21-/m0/s1/i2D2,3D2,4D2,7D2,10D2,13D2
C21H13D12ClN2O4S449.02611100

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