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 10 results

Search term: CQSIXFHVGKMLGQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
97143

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1
C9H14N2O5230.2179494600
157173

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)
C9H14N2O5230.2179151800
8808567

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8+/m1/s1
C9H14N2O5230.21795300
8832429

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m0/s1
C9H14N2O5230.21795300
29341656

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6?,7-,8-/m1/s1
C9H14N2O5230.21795400
48057510

3 of 3 defined stereocentres - 3/3 defined

Non-standard isotope
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7-,8-/m1/s1/i2+1,3+1,5+1,6+1,7+1,8+1
C313C6H14N2O5236.17385600
8832430

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7+,8+/m0/s1
C9H14N2O5230.21792100
8927240

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7+,8+/m1/s1
C9H14N2O5230.21792100
8832427

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7+,8-/m1/s1
C9H14N2O5230.21792100
8832428

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C9H14N2O5/c1-4(13)9-10-2-5(11-9)7(15)8(16)6(14)3-12/h2,6-8,12,14-16H,3H2,1H3,(H,10,11)/t6-,7+,8-/m0/s1
C9H14N2O5230.21792100

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