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
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Found 9 results

Search term: KAVDAMFOTJIBCK (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
4980121

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+/t8-,9-,10+/m1/s1
C12H15BrN2O4331.162510800
4943619

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+/t8-,9-,10+/m0/s1
C12H15BrN2O4331.162591000
4577859

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+/t8-,9-,10-/m1/s1
C12H15BrN2O4331.16257800
4900280

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+
C12H15BrN2O4331.16252200
327838

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/t8-,9-,10-/m1/s1
C12H15BrN2O4331.16252100
2957494

Double-bond stereo

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)
C12H15BrN2O4331.16252100
4980136

Double-bond stereo

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+/t8?,9?,10-/m0/s1
C12H15BrN2O4331.16252200
34972710

Double-bond stereo

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C12H15BrN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/t8-,9-,10+/m0/s1
C12H15BrN2O4331.16251100

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