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 12 results

Search term: YQEZLKZALYSWHR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
3689


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3
C13H16ClNO237.72528064561070178
158414


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1
C13H16ClNO237.7252384100
559099


1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m1/s1
C13H16ClNO237.7252254800
397248

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/i1-1
C1211CH16ClNO236.7262200
78333872

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/i2D,3D,6D,7D
C13H12D4ClNO241.74992200
5294196

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/p+1/t13-/m1/s1
C13H17ClNO238.733182100
48059960

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/i4D2,5D2,8D2,9D2
C13H8D8ClNO245.77451100
95585396

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/i/hD
C13H15DClNO238.73141100
107435796

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/i4D2,5D2,9D2
C13H10D6ClNO243.76221200
107443885

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/t13-/m0/s1/i4D2,5D2,8D2,9D2
C13H8D8ClNO245.77451100
4287536

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/p+1
C13H17ClNO238.73261100
5294088

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H16ClNO/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14/h2-3,6-7,15H,4-5,8-9H2,1H3/p+1/t13-/m0/s1
C13H17ClNO238.733181100

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