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: IBDIPBWIXJRJQM (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2319186

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H
C12H18ClNO2243.72982294500
45743362

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H/i1D3,3D2;
C12H13D5ClNO2248.760691600
32702391

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H/t9-;/m1./s1
C12H18ClNO2243.72984700
32699239

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H/t9-;/m0./s1
C12H18ClNO2243.72983600
107438217

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H/i4+1,5+1,7+1,10+1,11+1,12+1;
C613C6H18ClNO2249.68571100

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