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: KPYSYYIEGFHWSV (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2197


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
C10H12ClNO2213.66081623397516331
40580

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
C10H12ClNO2213.6608967901
40578

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1
C10H12ClNO2213.6608574800
23935316

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/i1D,2D,3D,4D
C10H8D4ClNO2217.6854192100
48058997

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/i5D2,6D2
C10H8D4ClNO2217.68546700
107447044

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m1/s1/i1D,2D,3D,4D
C10H8D4ClNO2217.68543300
107447043

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1/i1D,2D,3D,4D
C10H8D4ClNO2217.68542200
77410653

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/p+1/t8-/m0/s1
C10H13ClNO2214.66821100

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