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 7 results

Search term: GVUVRRPYYDHHGK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17279441

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5?,6-,7-/m0/s1
C9H16N2O4216.23434400
50074959

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
C9H16N2O4216.23433300
16568368

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)
C9H16N2O4216.23433440338
62479088

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6-,7-/m0/s1
C9H16N2O4216.23433200
50653603

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5?,6-,7?/m1/s1
C9H16N2O4216.23431100
50732458

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6-,7+/m1/s1
C9H16N2O4216.23431100
50732568

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H16N2O4/c1-5(12)7(9(14)15)11-8(13)6-3-2-4-10-6/h5-7,10,12H,2-4H2,1H3,(H,11,13)(H,14,15)/t5-,6?,7+/m1/s1
C9H16N2O4216.23431100

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