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 12 results

Search term: XNCDYJFPRPDERF (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
50100

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m1./s1
C15H23ClN2O282.80892747350
5293004

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1
C15H23ClN2O282.8089617700
10771177

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H
C15H23ClN2O282.8089606650
54072

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15-;/m0./s1
C15H23ClN2O282.80892311900
24540991

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15-;/m1./s1
C15H23ClN2O282.8089191800
48061937

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m1./s1/i1D3,2D3,3D2,4D2;
C15H13D10ClN2O292.87056500
97091896

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m1./s1/i5D,6D,7D,8D,9D;
C15H18D5ClN2O287.83974400
98645294

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1/i1D3,2D3,3D2,4D2;
C15H13D10ClN2O292.87054600
58994877

0 of 2 defined stereocentres - 0/2 defined

Non-standard isotope
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/i14+2;
C1414CH23ClN2O284.80152200
114392485

1 of 2 defined stereocentres - 1/2 defined

Non-standard isotope
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15?;/m1./s1/i5D,6D,7D,8D,9D;
C15H18D5ClN2O287.83971100
115010974

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13-,15+;/m0./s1/i5D,6D,7D,8D,9D;
C15H18D5ClN2O287.83971100
58825444

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/t13?,15-;/m1./s1
C15H23ClN2O282.80891100

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