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 11 results

Search term: PXMNMQRDXWABCY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
77680

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
C16H22ClN3O307.81841193885340561
48062655

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i1D3,2D3,3D3
C16H13D9ClN3O316.8738141900
19180801

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m0/s1
C16H22ClN3O307.81849600
32796824

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1
C16H22ClN3O307.81848600
49072399

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i1+1,2+1,3+1
C1313C3H22ClN3O310.79633500
52324397

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i9D2,10D2,11D,12D
C16H16D6ClN3O313.85542300
34451806

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i8D2,9D2,10D2
C16H16D6ClN3O313.85542200
30773531

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i4D,5D,6D,7D
C16H18D4ClN3O311.8432100
71048003

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i4+2,5+2,6+2,7+2,13+2,14+2
C1014C6H22ClN3O319.77361100
71048047

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i11+2,12+2
C1414C2H22ClN3O311.80351100
95743054

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/i21D
C16H21DClN3O308.82451100

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