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: YAQLSKVCTLCIIE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
6403


0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
C4H7BrO2167.00121241310133
5360862

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m1/s1
C4H7BrO2167.0012644600
553683

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/t3-/m0/s1
C4H7BrO2167.0012544600
134255

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/p-1
C4H6BrO2165.993871103
24532220

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/i1D3,2D2,3D
C4HD6BrO2173.03825600
5367517

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/p-1/t3-/m0/s1
C4H6BrO2165.99381100
5360861

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)/p-1/t3-/m1/s1
C4H6BrO2165.99381100

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