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 5 results

Search term: OPXKTCUYRHXSBK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
28619

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
C12H19Cl3N2O313.65106891463216
13176977

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H/t10-;/m0./s1
C12H19Cl3N2O313.6510691000
26331665

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H/t10-;/m1./s1
C12H19Cl3N2O313.65117900
49072209

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H/i1D3,2D3,3D3;
C12H10D9Cl3N2O322.70657700
107438207

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H/i1+1,2+1,3+1,12+1;
C813C4H19Cl3N2O317.62171100

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