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 13 results

Search term: MEZLKOACVSPNER (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
24930

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
C13H17N187.28087310311017
5007

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
C13H17N187.28085687732
172774

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m0/s1
C13H17N187.2808151600
397223

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/i3-1
C1211CH17N186.28154300
52084044

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1/i3-1,10D2
C1211CH15D2N188.29382200
107436957

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/i3D3,5D,6D,7D,8D,9D
C13H9D8N195.33012200
129243440

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1/i3-1
C1211CH17N186.28151100
68007043

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/i3-1,10D2
C1211CH15D2N188.29381100
13076914

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m0/s1/i3-1
C1211CH17N186.28151100
21865734

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1/t12-/m1/s1
C13H18N188.28821100
21865834

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/p+1
C13H18N188.28821100
49073350

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/i2D3,3D3,11D,12D
C13H9D8N195.33011200

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