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 11 results

Search term: PKVZBNCYEICAQP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
12666

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H
C11H22ClN203.75208699600
28530653

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8-,9+,11-;/m0./s1
C11H22ClN203.7521242500
9107798

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8-,9+,11?;/m1./s1
C11H22ClN203.7521232900
29342150

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8-,9+,11-;/m1./s1
C11H22ClN203.7521192000
57530405

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8-,9+,11-;/m1./s1/i4D3;
C11H19D3ClN206.770671000
50645856

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8?,9?,11-;/m0./s1
C11H22ClN203.752151000
48060185

0 of 3 defined stereocentres - 0/3 defined

Non-standard isotope
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/i4D3;
C11H19D3ClN206.77063300
114552596

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8-,9+,11?;/m0./s1
C11H22ClN203.75212200
58782405

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8?,9?,11-;/m1./s1
C11H22ClN203.75212500
82963816

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/t8-,9+,11+;/m1./s1
C11H22ClN203.75211100
16137264

Charge

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C11H21N.ClH/c1-10(2)8-5-6-9(7-8)11(10,3)12-4;/h8-9,12H,5-7H2,1-4H3;1H/p-1
C11H21ClN202.74471300

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