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
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Found 7 results

Search term: QYRYFNHXARDNFZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
56641

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H
C17H28ClNO2313.86272124186893
24533730

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H/i1D3,2D3;
C17H22D6ClNO2319.8997102100
10021219

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H/t16-;/m1./s1
C17H28ClNO2313.86277800
34987143

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H/t16-;/m0./s1
C17H28ClNO2313.86275600
77494432

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H/i4D2,5D2,6D2,11D2,12D2,16D;
C17H17D11ClNO2324.93054600
128756491

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H/i1D2,13D2,16D,19D;
C17H22D6ClNO2319.89971100
68007005

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H/i1D3,2D3,3D3;
C17H19D9ClNO2322.91821200

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