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 6 results

Search term: HJOCKFVCMLCPTP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
64514

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H
C13H20ClNO3273.75586912100
31047373

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m1./s1
C13H20ClNO3273.7558212600
31047374

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m0./s1
C13H20ClNO3273.7558202500
57530597

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m0./s1/i1D3,2D2;
C13H15D5ClNO3278.7866101100
57530596

1 of 1 defined stereocentres - 1/1 defined

Non-standard isotope
InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m1./s1/i1D3,2D2;
C13H15D5ClNO3278.78666700
76837234

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/i1D3,2D2;
C13H15D5ClNO3278.78664700

Advertisement