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: TWVKGYNQQAUNRN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5384712

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6-,7-/m0/s1
C9H18N2O4218.2502181800
15948496

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)
C9H18N2O4218.25024726431
36378621

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5?,6-,7+/m1/s1
C9H18N2O4218.25022200
36378670

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7-/m0/s1
C9H18N2O4218.25022200
36378707

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5?,6-,7?/m1/s1
C9H18N2O4218.25022200
76612433

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5-,6+,7+/m1/s1
C9H18N2O4218.25021100
115067762

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5?,6?,7-/m0/s1
C9H18N2O4218.25021100
115068482

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5?,6-,7-/m0/s1
C9H18N2O4218.25021100
115068885

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C9H18N2O4/c1-3-5(2)7(10)8(13)11-6(4-12)9(14)15/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t5?,6-,7?/m0/s1
C9H18N2O4218.25021100

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