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 9 results

Search term: HHJCITZXPVTSHY (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
574883

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3
C16H27NO5313.3893231800
1505346

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/t13-,16-/m0/s1
C16H27NO5313.38932100
1505348

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/t13-,16+/m0/s1
C16H27NO5313.38932100
1505350

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/t13-,16+/m1/s1
C16H27NO5313.38932100
1505352

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/t13-,16-/m1/s1
C16H27NO5313.38932100
1505351

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/p+1/t13-,16-/m1/s1
C16H28NO5314.39671100
1505349

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/p+1/t13-,16+/m1/s1
C16H28NO5314.39671100
1505347

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/p+1/t13-,16+/m0/s1
C16H28NO5314.39671100
1505345

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C16H27NO5/c1-3-5-6-16(14(18)21-4-2)11-13(22-15(16)19)12-17-7-9-20-10-8-17/h13H,3-12H2,1-2H3/p+1/t13-,16-/m0/s1
C16H28NO5314.39671100

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