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: IQBLWPLYPNOTJC (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4517151

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-
C12H20O4228.2848434000
4940541

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7+
C12H20O4228.2848161600
21161339

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)
C12H20O4228.28485400
9064925

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-/t10-/m1/s1
C12H20O4228.28484300
9108465

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-/t10-/m0/s1
C12H20O4228.28483200
9228593

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C12H20O4/c1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14/h7-8,10H,3-6,9H2,1-2H3,(H,13,14)/b8-7-/i9D2
C12H18D2O4230.29712100

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