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: OLIFSFOFKGKIRH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
99837

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/m1/s1
C6H12N2O4176.17056052611
312529

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)
C6H12N2O4176.1705435228656
21542691

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/m0/s1
C6H12N2O4176.1705251600
19977587

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3?,5-/m0/s1
C6H12N2O4176.170544611
25052747

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5-/m1/s1
C6H12N2O4176.17053300
25055674

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5?/m1/s1
C6H12N2O4176.17053200
67156252

2 of 2 defined stereocentres - 2/2 defined

Non-standard isotope
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,5+/m1/s1/i/hD
C6H11DN2O4177.17662100
20005502

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C6H12N2O4/c1-3(9)5(6(11)12)8-4(10)2-7/h3,5,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3?,5-/m1/s1
C6H12N2O4176.17052100

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