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 6 results

Search term: BFZRBGGLQRZFGI (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17463180

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C22H27NO6/c1-11(2)8-16(21(25)26)23-20(24)13(4)28-17-9-12(3)10-18-19(17)14-6-5-7-15(14)22(27)29-18/h9-11,13,16H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t13?,16-/m0/s1
C22H27NO6401.452916900
2696848

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H27NO6/c1-11(2)8-16(21(25)26)23-20(24)13(4)28-17-9-12(3)10-18-19(17)14-6-5-7-15(14)22(27)29-18/h9-11,13,16H,5-8H2,1-4H3,(H,23,24)(H,25,26)
C22H27NO6401.452883200
1398121

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO6/c1-11(2)8-16(21(25)26)23-20(24)13(4)28-17-9-12(3)10-18-19(17)14-6-5-7-15(14)22(27)29-18/h9-11,13,16H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t13-,16+/m1/s1
C22H27NO6401.45292100
1398123

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO6/c1-11(2)8-16(21(25)26)23-20(24)13(4)28-17-9-12(3)10-18-19(17)14-6-5-7-15(14)22(27)29-18/h9-11,13,16H,5-8H2,1-4H3,(H,23,24)(H,25,26)/t13-,16-/m0/s1
C22H27NO6401.45292100
1398120

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO6/c1-11(2)8-16(21(25)26)23-20(24)13(4)28-17-9-12(3)10-18-19(17)14-6-5-7-15(14)22(27)29-18/h9-11,13,16H,5-8H2,1-4H3,(H,23,24)(H,25,26)/p-1/t13-,16+/m1/s1
C22H26NO6400.44551100
1398122

Charge

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C22H27NO6/c1-11(2)8-16(21(25)26)23-20(24)13(4)28-17-9-12(3)10-18-19(17)14-6-5-7-15(14)22(27)29-18/h9-11,13,16H,5-8H2,1-4H3,(H,23,24)(H,25,26)/p-1/t13-,16-/m0/s1
C22H26NO6400.44551100

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